Introduction to the computational structural mechanics testbed

NASA Technical Reports Server (NTRS)

Lotts, C. G.; Greene, W. H.; Mccleary, S. L.; Knight, N. F., Jr.; Paulson, S. S.; Gillian, R. E.

1987-01-01

The Computational Structural Mechanics (CSM) testbed software system based on the SPAR finite element code and the NICE system is described. This software is denoted NICE/SPAR. NICE was developed at Lockheed Palo Alto Research Laboratory and contains data management utilities, a command language interpreter, and a command language definition for integrating engineering computational modules. SPAR is a system of programs used for finite element structural analysis developed for NASA by Lockheed and Engineering Information Systems, Inc. It includes many complementary structural analysis, thermal analysis, utility functions which communicate through a common database. The work on NICE/SPAR was motivated by requirements for a highly modular and flexible structural analysis system to use as a tool in carrying out research in computational methods and exploring computer hardware. Analysis examples are presented which demonstrate the benefits gained from a combination of the NICE command language with a SPAR computational modules.

Structure-sequence based analysis for identification of conserved regions in proteins

DOEpatents

Zemla, Adam T; Zhou, Carol E; Lam, Marisa W; Smith, Jason R; Pardes, Elizabeth

2013-05-28

Disclosed are computational methods, and associated hardware and software products for scoring conservation in a protein structure based on a computationally identified family or cluster of protein structures. A method of computationally identifying a family or cluster of protein structures in also disclosed herein.

Availability of software services for a hospital information system.

PubMed

Sakamoto, N

1998-03-01

Hospital information systems (HISs) are becoming more important and covering more parts in daily hospital operations as order-entry systems become popular and electronic charts are introduced. Thus, HISs today need to be able to provide necessary services for hospital operations for a 24-h day, 365 days a year. The provision of services discussed here does not simply mean the availability of computers, in which all that matters is that the computer is functioning. It means the provision of necessary information for hospital operations by the computer software, and we will call it the availability of software services. HISs these days are mostly client-server systems. To increase availability of software services in these systems, it is not enough to just use system structures that are highly reliable in existing host-centred systems. Four main components which support availability of software services are network systems, client computers, server computers, and application software. In this paper, we suggest how to structure these four components to provide the minimum requested software services even if a part of the system stops to function. The network system should be double-protected in stratus using Asynchronous Transfer Mode (ATM) as its base network. Client computers should be fat clients with as much application logic as possible, and reference information which do not require frequent updates (master files, for example) should be replicated in clients. It would be best if all server computers could be double-protected. However, if that is physically impossible, one database file should be made accessible by several server computers. Still, at least the basic patients' information and the latest clinical records should be double-protected physically. Application software should be tested carefully before introduction. Different versions of the application software should always be kept and managed in case the new version has problems. If a hospital information system is designed and developed with these points in mind, it's availability of software services should increase greatly.

For operation of the Computer Software Management and Information Center (COSMIC)

NASA Technical Reports Server (NTRS)

Carmon, J. L.

1983-01-01

Computer programs for large systems of normal equations, an interactive digital signal process, structural analysis of cylindrical thrust chambers, swirling turbulent axisymmetric recirculating flows in practical isothermal combustor geometrics, computation of three dimensional combustor performance, a thermal radiation analysis system, transient response analysis, and a software design analysis are summarized.

The National Education Association's Educational Computer Service. An Assessment.

ERIC Educational Resources Information Center

Software Publishers Association, Washington, DC.

The Educational Computer Service (ECS) of the National Education Association (NEA) evaluates and distributes educational software. An investigation of ECS was conducted by the Computer Education Committee of the Software Publishers Association (SPA) at the request of SPA members. The SPA found that the service, as it is presently structured, is…

IMAT (Integrated Multidisciplinary Analysis Tool) user's guide for the VAX/VMS computer

NASA Technical Reports Server (NTRS)

Meissner, Frances T. (Editor)

1988-01-01

The Integrated Multidisciplinary Analysis Tool (IMAT) is a computer software system for the VAX/VMS computer developed at the Langley Research Center. IMAT provides researchers and analysts with an efficient capability to analyze satellite control systems influenced by structural dynamics. Using a menu-driven executive system, IMAT leads the user through the program options. IMAT links a relational database manager to commercial and in-house structural and controls analysis codes. This paper describes the IMAT software system and how to use it.

On the recognition of complex structures: Computer software using artificial intelligence applied to pattern recognition

NASA Technical Reports Server (NTRS)

Yakimovsky, Y.

1974-01-01

An approach to simultaneous interpretation of objects in complex structures so as to maximize a combined utility function is presented. Results of the application of a computer software system to assign meaning to regions in a segmented image based on the principles described in this paper and on a special interactive sequential classification learning system, which is referenced, are demonstrated.

Enhancement/upgrade of Engine Structures Technology Best Estimator (EST/BEST) Software System

NASA Technical Reports Server (NTRS)

Shah, Ashwin

2003-01-01

This report describes the work performed during the contract period and the capabilities included in the EST/BEST software system. The developed EST/BEST software system includes the integrated NESSUS, IPACS, COBSTRAN, and ALCCA computer codes required to perform the engine cycle mission and component structural analysis. Also, the interactive input generator for NESSUS, IPACS, and COBSTRAN computer codes have been developed and integrated with the EST/BEST software system. The input generator allows the user to create input from scratch as well as edit existing input files interactively. Since it has been integrated with the EST/BEST software system, it enables the user to modify EST/BEST generated files and perform the analysis to evaluate the benefits. Appendix A gives details of how to use the newly added features in the EST/BEST software system.

Automated selection of computed tomography display parameters using neural networks

NASA Astrophysics Data System (ADS)

Zhang, Di; Neu, Scott; Valentino, Daniel J.

2001-07-01

A collection of artificial neural networks (ANN's) was trained to identify simple anatomical structures in a set of x-ray computed tomography (CT) images. These neural networks learned to associate a point in an image with the anatomical structure containing the point by using the image pixels located on the horizontal and vertical lines that ran through the point. The neural networks were integrated into a computer software tool whose function is to select an index into a list of CT window/level values from the location of the user's mouse cursor. Based upon the anatomical structure selected by the user, the software tool automatically adjusts the image display to optimally view the structure.

The fundamentals behind solving for unknown molecular structures using computer-assisted structure elucidation: a free software package at the undergraduate and graduate levels.

PubMed

Moser, Arvin; Pautler, Brent G

2016-05-15

The successful elucidation of an unknown compound's molecular structure often requires an analyst with profound knowledge and experience of advanced spectroscopic techniques, such as Nuclear Magnetic Resonance (NMR) spectroscopy and mass spectrometry. The implementation of Computer-Assisted Structure Elucidation (CASE) software in solving for unknown structures, such as isolated natural products and/or reaction impurities, can serve both as elucidation and teaching tools. As such, the introduction of CASE software with 112 exercises to train students in conjunction with the traditional pen and paper approach will strengthen their overall understanding of solving unknowns and explore of various structural end points to determine the validity of the results quickly. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Rapid Analysis of Mass Distribution of Radiation Shielding

NASA Technical Reports Server (NTRS)

Zapp, Edward

2007-01-01

Radiation Shielding Evaluation Toolset (RADSET) is a computer program that rapidly calculates the spatial distribution of mass of an arbitrary structure for use in ray-tracing analysis of the radiation-shielding properties of the structure. RADSET was written to be used in conjunction with unmodified commercial computer-aided design (CAD) software that provides access to data on the structure and generates selected three-dimensional-appearing views of the structure. RADSET obtains raw geometric, material, and mass data on the structure from the CAD software. From these data, RADSET calculates the distribution(s) of the masses of specific materials about any user-specified point(s). The results of these mass-distribution calculations are imported back into the CAD computing environment, wherein the radiation-shielding calculations are performed.

TAIGA: Twente Advanced Interactive Graphic Authoring System. A New Concept in Computer Assisted Learning (CAL) and Educational Research. Doc 88-18.

ERIC Educational Resources Information Center

Pilot, A.

TAIGA (Twente Advanced Interactive Graphic Authoring system) is a system which can be used to develop instructional software. It is written in MS-PASCAL, and runs on computers that support MS-DOS. Designed to support the production of structured software, TAIGA has a hierarchical structure of three layers, each with a specific function, and each…

Instrumentation: Software-Driven Instrumentation: The New Wave.

ERIC Educational Resources Information Center

Salit, M. L.; Parsons, M. L.

1985-01-01

Software-driven instrumentation makes measurements that demand a computer as an integral part of either control, data acquisition, or data reduction. The structure of such instrumentation, hardware requirements, and software requirements are discussed. Examples of software-driven instrumentation (such as wavelength-modulated continuum source…

A Structured Model for Software Documentation.

ERIC Educational Resources Information Center

Swigger, Keith

The concept of "structured programming" was developed to facilitate software production, but it has not carried over to documentation design. Two concepts of structure are relevant to user documentation for computer programs. The first is based on programming techniques that emphasize decomposition of tasks into discrete modules, while the second…

Solving subsurface structural problems using a computer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Witte, D.M.

1987-02-01

Until recently, the solution of subsurface structural problems has required a combination of graphical construction, trigonometry, time, and patience. Recent advances in software available for both mainframe and microcomputers now reduce the time and potential error of these calculations by an order of magnitude. Software for analysis of deviated wells, three point problems, apparent dip, apparent thickness, and the intersection of two planes, as well as the plotting and interpretation of these data can be used to allow timely and accurate exploration or operational decisions. The available computer software provides a set of utilities, or tools, rather than a comprehensive,more » intelligent system. The burden for selection of appropriate techniques, computation methods, and interpretations still lies with the explorationist user.« less

Software Engineering Guidebook

NASA Technical Reports Server (NTRS)

Connell, John; Wenneson, Greg

1993-01-01

The Software Engineering Guidebook describes SEPG (Software Engineering Process Group) supported processes and techniques for engineering quality software in NASA environments. Three process models are supported: structured, object-oriented, and evolutionary rapid-prototyping. The guidebook covers software life-cycles, engineering, assurance, and configuration management. The guidebook is written for managers and engineers who manage, develop, enhance, and/or maintain software under the Computer Software Services Contract.

The computational structural mechanics testbed data library description

NASA Technical Reports Server (NTRS)

Stewart, Caroline B. (Compiler)

1988-01-01

The datasets created and used by the Computational Structural Mechanics Testbed software system are documented by this manual. A description of each dataset including its form, contents, and organization is presented.

The computational structural mechanics testbed data library description

NASA Technical Reports Server (NTRS)

Stewart, Caroline B. (Compiler)

1988-01-01

The datasets created and used by the Computational Structural Mechanics Testbed software system is documented by this manual. A description of each dataset including its form, contents, and organization is presented.

Airborne Intelligent Display (AID) Phase I Software Description,

DTIC Science & Technology

1983-10-24

Board Computer Characteristics 10 3.0 SOFTWARE GENERAL DESCRIPTION 13 3.1 Overview 13 3.2 System Software 14 3.2.1 System Startup 14 3.2.1.1 Initial...3 A-2 Task States A-4 A-3 Task Program Structure A-6 A-4 Task States and State Change Mechanisms A-7 A-5 Computing Return Addresses: RUNADR, SLPADR A...techniques. 2.2 Design Approach The stated objectives were met by: 1. distributing the processing load among multiple Z80 single-board computers (SBC’s). This

Providing structural modules with self-integrity monitoring software user's manual

NASA Technical Reports Server (NTRS)

1990-01-01

National Aeronautics and Space Administration (NASA) Contract NAS7-961 (A Small Business Innovation and Research (SBIR) contract from NASA) involved research dealing with remote structural damage detection using the concept of substructures. Several approaches were developed. The main two were: (1) the module (substructure) transfer function matrix (MTFM) approach; and (2) modal strain energy distribution method (MSEDM). Either method can be used with a global structure; however, the focus was on substructures. As part of the research contract, computer software was to be developed which would implement the developed methods. This was done and it was used to process all the finite element generated numerical data for the research. The software was written for the IBM AT personal computer. Copies of it were placed on floppy disks. This report serves as a user's manual for the two sets of damage detection software. Sections 2.0 and 3.0 discuss the use of the MTFM and MSEDM software, respectively.

Computational structural mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1988-01-01

The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

Computational structural mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1989-01-01

The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

A Graphical Approach to Quantitative Structural Geology.

ERIC Educational Resources Information Center

De Paor, Declan G.

1986-01-01

Describes how computer graphic methods can be used in teaching structural geology. Describes the design of a graphics workstation for the Apple microcomputer. Includes a listing of commands used with software to plot structures in a digitized form. Argues for the establishment of computer laboratories for structural geology classes. (TW)

NMR-based automated protein structure determination.

PubMed

Würz, Julia M; Kazemi, Sina; Schmidt, Elena; Bagaria, Anurag; Güntert, Peter

2017-08-15

NMR spectra analysis for protein structure determination can now in many cases be performed by automated computational methods. This overview of the computational methods for NMR protein structure analysis presents recent automated methods for signal identification in multidimensional NMR spectra, sequence-specific resonance assignment, collection of conformational restraints, and structure calculation, as implemented in the CYANA software package. These algorithms are sufficiently reliable and integrated into one software package to enable the fully automated structure determination of proteins starting from NMR spectra without manual interventions or corrections at intermediate steps, with an accuracy of 1-2 Å backbone RMSD in comparison with manually solved reference structures. Copyright © 2017 Elsevier Inc. All rights reserved.

Software For Genetic Algorithms

NASA Technical Reports Server (NTRS)

Wang, Lui; Bayer, Steve E.

1992-01-01

SPLICER computer program is genetic-algorithm software tool used to solve search and optimization problems. Provides underlying framework and structure for building genetic-algorithm application program. Written in Think C.

Chemical calculations on Cray computers

NASA Technical Reports Server (NTRS)

Taylor, Peter R.; Bauschlicher, Charles W., Jr.; Schwenke, David W.

1989-01-01

The influence of recent developments in supercomputing on computational chemistry is discussed with particular reference to Cray computers and their pipelined vector/limited parallel architectures. After reviewing Cray hardware and software the performance of different elementary program structures are examined, and effective methods for improving program performance are outlined. The computational strategies appropriate for obtaining optimum performance in applications to quantum chemistry and dynamics are discussed. Finally, some discussion is given of new developments and future hardware and software improvements.

Software for Testing Electroactive Structural Components

NASA Technical Reports Server (NTRS)

Moses, Robert W.; Fox, Robert L.; Dimery, Archie D.; Bryant, Robert G.; Shams, Qamar

2003-01-01

A computer program generates a graphical user interface that, in combination with its other features, facilitates the acquisition and preprocessing of experimental data on the strain response, hysteresis, and power consumption of a multilayer composite-material structural component containing one or more built-in sensor(s) and/or actuator(s) based on piezoelectric materials. This program runs in conjunction with Lab-VIEW software in a computer-controlled instrumentation system. For a test, a specimen is instrumented with appliedvoltage and current sensors and with strain gauges. Once the computational connection to the test setup has been made via the LabVIEW software, this program causes the test instrumentation to step through specified configurations. If the user is satisfied with the test results as displayed by the software, the user activates an icon on a front-panel display, causing the raw current, voltage, and strain data to be digitized and saved. The data are also put into a spreadsheet and can be plotted on a graph. Graphical displays are saved in an image file for future reference. The program also computes and displays the power and the phase angle between voltage and current.

QRev—Software for computation and quality assurance of acoustic doppler current profiler moving-boat streamflow measurements—Technical manual for version 2.8

USGS Publications Warehouse

Mueller, David S.

2016-06-21

The software program, QRev applies common and consistent computational algorithms combined with automated filtering and quality assessment of the data to improve the quality and efficiency of streamflow measurements and helps ensure that U.S. Geological Survey streamflow measurements are consistent, accurate, and independent of the manufacturer of the instrument used to make the measurement. Software from different manufacturers uses different algorithms for various aspects of the data processing and discharge computation. The algorithms used by QRev to filter data, interpolate data, and compute discharge are documented and compared to the algorithms used in the manufacturers’ software. QRev applies consistent algorithms and creates a data structure that is independent of the data source. QRev saves an extensible markup language (XML) file that can be imported into databases or electronic field notes software. This report is the technical manual for version 2.8 of QRev.

Automating software design system DESTA

NASA Technical Reports Server (NTRS)

Lovitsky, Vladimir A.; Pearce, Patricia D.

1992-01-01

'DESTA' is the acronym for the Dialogue Evolutionary Synthesizer of Turnkey Algorithms by means of a natural language (Russian or English) functional specification of algorithms or software being developed. DESTA represents the computer-aided and/or automatic artificial intelligence 'forgiving' system which provides users with software tools support for algorithm and/or structured program development. The DESTA system is intended to provide support for the higher levels and earlier stages of engineering design of software in contrast to conventional Computer Aided Design (CAD) systems which provide low level tools for use at a stage when the major planning and structuring decisions have already been taken. DESTA is a knowledge-intensive system. The main features of the knowledge are procedures, functions, modules, operating system commands, batch files, their natural language specifications, and their interlinks. The specific domain for the DESTA system is a high level programming language like Turbo Pascal 6.0. The DESTA system is operational and runs on an IBM PC computer.

Introductory Molecular Orbital Theory: An Honors General Chemistry Computational Lab as Implemented Using Three-Dimensional Modeling Software

ERIC Educational Resources Information Center

Ruddick, Kristie R.; Parrill, Abby L.; Petersen, Richard L.

2012-01-01

In this study, a computational molecular orbital theory experiment was implemented in a first-semester honors general chemistry course. Students used the GAMESS (General Atomic and Molecular Electronic Structure System) quantum mechanical software (as implemented in ChemBio3D) to optimize the geometry for various small molecules. Extended Huckel…

Automating the parallel processing of fluid and structural dynamics calculations

NASA Technical Reports Server (NTRS)

Arpasi, Dale J.; Cole, Gary L.

1987-01-01

The NASA Lewis Research Center is actively involved in the development of expert system technology to assist users in applying parallel processing to computational fluid and structural dynamic analysis. The goal of this effort is to eliminate the necessity for the physical scientist to become a computer scientist in order to effectively use the computer as a research tool. Programming and operating software utilities have previously been developed to solve systems of ordinary nonlinear differential equations on parallel scalar processors. Current efforts are aimed at extending these capabilities to systems of partial differential equations, that describe the complex behavior of fluids and structures within aerospace propulsion systems. This paper presents some important considerations in the redesign, in particular, the need for algorithms and software utilities that can automatically identify data flow patterns in the application program and partition and allocate calculations to the parallel processors. A library-oriented multiprocessing concept for integrating the hardware and software functions is described.

Software Reviews.

ERIC Educational Resources Information Center

Wulfson, Stephen, Ed.

1987-01-01

Reviews seven computer software programs that can be used in science education programs. Describes courseware which deals with muscles and bones, terminology, classifying animals without backbones, molecular structures, drugs, genetics, and shaping the earth's surface. (TW)

A Flexible and Non-instrusive Approach for Computing Complex Structural Coverage Metrics

NASA Technical Reports Server (NTRS)

Whalen, Michael W.; Person, Suzette J.; Rungta, Neha; Staats, Matt; Grijincu, Daniela

2015-01-01

Software analysis tools and techniques often leverage structural code coverage information to reason about the dynamic behavior of software. Existing techniques instrument the code with the required structural obligations and then monitor the execution of the compiled code to report coverage. Instrumentation based approaches often incur considerable runtime overhead for complex structural coverage metrics such as Modified Condition/Decision (MC/DC). Code instrumentation, in general, has to be approached with great care to ensure it does not modify the behavior of the original code. Furthermore, instrumented code cannot be used in conjunction with other analyses that reason about the structure and semantics of the code under test. In this work, we introduce a non-intrusive preprocessing approach for computing structural coverage information. It uses a static partial evaluation of the decisions in the source code and a source-to-bytecode mapping to generate the information necessary to efficiently track structural coverage metrics during execution. Our technique is flexible; the results of the preprocessing can be used by a variety of coverage-driven software analysis tasks, including automated analyses that are not possible for instrumented code. Experimental results in the context of symbolic execution show the efficiency and flexibility of our nonintrusive approach for computing code coverage information

Evaluation of Software for Introducing Protein Structure: Visualization and Simulation

ERIC Educational Resources Information Center

White, Brian; Kahriman, Azmin; Luberice, Lois; Idleh, Farhia

2010-01-01

Communicating an understanding of the forces and factors that determine a protein's structure is an important goal of many biology and biochemistry courses at a variety of levels. Many educators use computer software that allows visualization of these complex molecules for this purpose. Although visualization is in wide use and has been associated…

The Dynamic Interplay between Spatialization of Written Units in Writing Activity and Functions of Tools on the Computer

ERIC Educational Resources Information Center

Huh, Joo Hee

2012-01-01

I criticize the typewriting model and linear writing structure of Microsoft Word software for writing in the computer. I problematize bodily movement in writing that the error of the software disregards. In this research, writing activity is viewed as bodily, spatial and mediated activity under the premise of the unity of consciousness and…

Flexibility of Bricard's linkages and other structures via resultants and computer algebra.

PubMed

Lewis, Robert H; Coutsias, Evangelos A

2016-07-01

Flexibility of structures is extremely important for chemistry and robotics. Following our earlier work, we study flexibility using polynomial equations, resultants, and a symbolic algorithm of our creation that analyzes the resultant. We show that the software solves a classic arrangement of quadrilaterals in the plane due to Bricard. We fill in several gaps in Bricard's work and discover new flexible arrangements that he was apparently unaware of. This provides strong evidence for the maturity of the software, and is a wonderful example of mathematical discovery via computer assisted experiment.

Large-scale structural analysis: The structural analyst, the CSM Testbed and the NAS System

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Mccleary, Susan L.; Macy, Steven C.; Aminpour, Mohammad A.

1989-01-01

The Computational Structural Mechanics (CSM) activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM testbed methods development environment is presented and some numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

PDBStat: a universal restraint converter and restraint analysis software package for protein NMR.

PubMed

Tejero, Roberto; Snyder, David; Mao, Binchen; Aramini, James M; Montelione, Gaetano T

2013-08-01

The heterogeneous array of software tools used in the process of protein NMR structure determination presents organizational challenges in the structure determination and validation processes, and creates a learning curve that limits the broader use of protein NMR in biology. These challenges, including accurate use of data in different data formats required by software carrying out similar tasks, continue to confound the efforts of novices and experts alike. These important issues need to be addressed robustly in order to standardize protein NMR structure determination and validation. PDBStat is a C/C++ computer program originally developed as a universal coordinate and protein NMR restraint converter. Its primary function is to provide a user-friendly tool for interconverting between protein coordinate and protein NMR restraint data formats. It also provides an integrated set of computational methods for protein NMR restraint analysis and structure quality assessment, relabeling of prochiral atoms with correct IUPAC names, as well as multiple methods for analysis of the consistency of atomic positions indicated by their convergence across a protein NMR ensemble. In this paper we provide a detailed description of the PDBStat software, and highlight some of its valuable computational capabilities. As an example, we demonstrate the use of the PDBStat restraint converter for restrained CS-Rosetta structure generation calculations, and compare the resulting protein NMR structure models with those generated from the same NMR restraint data using more traditional structure determination methods. These results demonstrate the value of a universal restraint converter in allowing the use of multiple structure generation methods with the same restraint data for consensus analysis of protein NMR structures and the underlying restraint data.

PDBStat: A Universal Restraint Converter and Restraint Analysis Software Package for Protein NMR

PubMed Central

Tejero, Roberto; Snyder, David; Mao, Binchen; Aramini, James M.; Montelione, Gaetano T

2013-01-01

The heterogeneous array of software tools used in the process of protein NMR structure determination presents organizational challenges in the structure determination and validation processes, and creates a learning curve that limits the broader use of protein NMR in biology. These challenges, including accurate use of data in different data formats required by software carrying out similar tasks, continue to confound the efforts of novices and experts alike. These important issues need to be addressed robustly in order to standardize protein NMR structure determination and validation. PDBStat is a C/C++ computer program originally developed as a universal coordinate and protein NMR restraint converter. Its primary function is to provide a user-friendly tool for interconverting between protein coordinate and protein NMR restraint data formats. It also provides an integrated set of computational methods for protein NMR restraint analysis and structure quality assessment, relabeling of prochiral atoms with correct IUPAC names, as well as multiple methods for analysis of the consistency of atomic positions indicated by their convergence across a protein NMR ensemble. In this paper we provide a detailed description of the PDBStat software, and highlight some of its valuable computational capabilities. As an example, we demonstrate the use of the PDBStat restraint converter for restrained CS-Rosetta structure generation calculations, and compare the resulting protein NMR structure models with those generated from the same NMR restraint data using more traditional structure determination methods. These results demonstrate the value of a universal restraint converter in allowing the use of multiple structure generation methods with the same restraint data for consensus analysis of protein NMR structures and the underlying restraint data. PMID:23897031

Computational structural mechanics for engine structures

NASA Technical Reports Server (NTRS)

Chamis, C. C.

1989-01-01

The computational structural mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures. It is structured to mainly supplement, complement, and whenever possible replace, costly experimental efforts which are unavoidable during engineering research and development programs. Specific objectives include: investigate unique advantages of parallel and multiprocesses for: reformulating/solving structural mechanics and formulating/solving multidisciplinary mechanics and develop integrated structural system computational simulators for: predicting structural performances, evaluating newly developed methods, and for identifying and prioritizing improved/missing methods needed. Herein the CSM program is summarized with emphasis on the Engine Structures Computational Simulator (ESCS). Typical results obtained using ESCS are described to illustrate its versatility.

Cloud4Psi: cloud computing for 3D protein structure similarity searching.

PubMed

Mrozek, Dariusz; Małysiak-Mrozek, Bożena; Kłapciński, Artur

2014-10-01

Popular methods for 3D protein structure similarity searching, especially those that generate high-quality alignments such as Combinatorial Extension (CE) and Flexible structure Alignment by Chaining Aligned fragment pairs allowing Twists (FATCAT) are still time consuming. As a consequence, performing similarity searching against large repositories of structural data requires increased computational resources that are not always available. Cloud computing provides huge amounts of computational power that can be provisioned on a pay-as-you-go basis. We have developed the cloud-based system that allows scaling of the similarity searching process vertically and horizontally. Cloud4Psi (Cloud for Protein Similarity) was tested in the Microsoft Azure cloud environment and provided good, almost linearly proportional acceleration when scaled out onto many computational units. Cloud4Psi is available as Software as a Service for testing purposes at: http://cloud4psi.cloudapp.net/. For source code and software availability, please visit the Cloud4Psi project home page at http://zti.polsl.pl/dmrozek/science/cloud4psi.htm. © The Author 2014. Published by Oxford University Press.

Cloud4Psi: cloud computing for 3D protein structure similarity searching

PubMed Central

Mrozek, Dariusz; Małysiak-Mrozek, Bożena; Kłapciński, Artur

2014-01-01

Summary: Popular methods for 3D protein structure similarity searching, especially those that generate high-quality alignments such as Combinatorial Extension (CE) and Flexible structure Alignment by Chaining Aligned fragment pairs allowing Twists (FATCAT) are still time consuming. As a consequence, performing similarity searching against large repositories of structural data requires increased computational resources that are not always available. Cloud computing provides huge amounts of computational power that can be provisioned on a pay-as-you-go basis. We have developed the cloud-based system that allows scaling of the similarity searching process vertically and horizontally. Cloud4Psi (Cloud for Protein Similarity) was tested in the Microsoft Azure cloud environment and provided good, almost linearly proportional acceleration when scaled out onto many computational units. Availability and implementation: Cloud4Psi is available as Software as a Service for testing purposes at: http://cloud4psi.cloudapp.net/. For source code and software availability, please visit the Cloud4Psi project home page at http://zti.polsl.pl/dmrozek/science/cloud4psi.htm. Contact: dariusz.mrozek@polsl.pl PMID:24930141

Theoretical and software considerations for nonlinear dynamic analysis

NASA Technical Reports Server (NTRS)

Schmidt, R. J.; Dodds, R. H., Jr.

1983-01-01

In the finite element method for structural analysis, it is generally necessary to discretize the structural model into a very large number of elements to accurately evaluate displacements, strains, and stresses. As the complexity of the model increases, the number of degrees of freedom can easily exceed the capacity of present-day software system. Improvements of structural analysis software including more efficient use of existing hardware and improved structural modeling techniques are discussed. One modeling technique that is used successfully in static linear and nonlinear analysis is multilevel substructuring. This research extends the use of multilevel substructure modeling to include dynamic analysis and defines the requirements for a general purpose software system capable of efficient nonlinear dynamic analysis. The multilevel substructuring technique is presented, the analytical formulations and computational procedures for dynamic analysis and nonlinear mechanics are reviewed, and an approach to the design and implementation of a general purpose structural software system is presented.

Infinite possibilities: Computational structures technology

NASA Astrophysics Data System (ADS)

Beam, Sherilee F.

1994-12-01

Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will evolve. By using CST in the design and operation of future structures systems, engineers will have a better understanding of how a system responds and lasts, more cost-effective methods of designing and testing models, and improved productivity. For informational and educational purposes, a videotape is being produced using both static and dynamic images from research institutions, software and hardware companies, private individuals, and historical photographs and drawings. The extensive number of CST resources indicates its widespread use. Applications run the gamut from simpler university-simulated problems to those requiring solutions on supercomputers. In some cases, an image or an animation will be mapped onto the actual structure to show the relevance of the computer model to the structure.

Infinite possibilities: Computational structures technology

NASA Technical Reports Server (NTRS)

Beam, Sherilee F.

1994-01-01

Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will evolve. By using CST in the design and operation of future structures systems, engineers will have a better understanding of how a system responds and lasts, more cost-effective methods of designing and testing models, and improved productivity. For informational and educational purposes, a videotape is being produced using both static and dynamic images from research institutions, software and hardware companies, private individuals, and historical photographs and drawings. The extensive number of CST resources indicates its widespread use. Applications run the gamut from simpler university-simulated problems to those requiring solutions on supercomputers. In some cases, an image or an animation will be mapped onto the actual structure to show the relevance of the computer model to the structure. Transferring the digital files to videotape presents a number of problems related to maintaining the quality of the original image, while still producing a broadcast quality videotape. Since researchers normally do not create a computer image using traditional composition theories or video production requirements, often the image loses some of its original digital quality and impact when transferred to videotape. Although many CST images are currently available, those that are edited into the final project must meet two important criteria: they must complement the narration, and they must be broadcast quality when recorded on videotape.

New computing systems, future computing environment, and their implications on structural analysis and design

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Housner, Jerrold M.

1993-01-01

Recent advances in computer technology that are likely to impact structural analysis and design of flight vehicles are reviewed. A brief summary is given of the advances in microelectronics, networking technologies, and in the user-interface hardware and software. The major features of new and projected computing systems, including high performance computers, parallel processing machines, and small systems, are described. Advances in programming environments, numerical algorithms, and computational strategies for new computing systems are reviewed. The impact of the advances in computer technology on structural analysis and the design of flight vehicles is described. A scenario for future computing paradigms is presented, and the near-term needs in the computational structures area are outlined.

The computational structural mechanics testbed architecture. Volume 5: The Input-Output Manager DMGASP

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.

1989-01-01

This is the fifth of a set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language (CLAMP), the command language interpreter (CLIP), and the data manager (GAL). Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 5 describes the low-level data management component of the NICE software. It is intended only for advanced programmers involved in maintenance of the software.

Software analysis handbook: Software complexity analysis and software reliability estimation and prediction

NASA Technical Reports Server (NTRS)

Lee, Alice T.; Gunn, Todd; Pham, Tuan; Ricaldi, Ron

1994-01-01

This handbook documents the three software analysis processes the Space Station Software Analysis team uses to assess space station software, including their backgrounds, theories, tools, and analysis procedures. Potential applications of these analysis results are also presented. The first section describes how software complexity analysis provides quantitative information on code, such as code structure and risk areas, throughout the software life cycle. Software complexity analysis allows an analyst to understand the software structure, identify critical software components, assess risk areas within a software system, identify testing deficiencies, and recommend program improvements. Performing this type of analysis during the early design phases of software development can positively affect the process, and may prevent later, much larger, difficulties. The second section describes how software reliability estimation and prediction analysis, or software reliability, provides a quantitative means to measure the probability of failure-free operation of a computer program, and describes the two tools used by JSC to determine failure rates and design tradeoffs between reliability, costs, performance, and schedule.

Evaluation of the discrete vortex wake cross flow model using vector computers. Part 1: Theory and application

NASA Technical Reports Server (NTRS)

1979-01-01

The current program had the objective to modify a discrete vortex wake method to efficiently compute the aerodynamic forces and moments on high fineness ratio bodies (f approximately 10.0). The approach is to increase computational efficiency by structuring the program to take advantage of new computer vector software and by developing new algorithms when vector software can not efficiently be used. An efficient program was written and substantial savings achieved. Several test cases were run for fineness ratios up to f = 16.0 and angles of attack up to 50 degrees.

Current And Future Directions Of Lens Design Software

NASA Astrophysics Data System (ADS)

Gustafson, Darryl E.

1983-10-01

The most effective environment for doing lens design continues to evolve as new computer hardware and software tools become available. Important recent hardware developments include: Low-cost but powerful interactive multi-user 32 bit computers with virtual memory that are totally software-compatible with prior larger and more expensive members of the family. A rapidly growing variety of graphics devices for both hard-copy and screen graphics, including many with color capability. In addition, with optical design software readily accessible in many forms, optical design has become a part-time activity for a large number of engineers instead of being restricted to a small number of full-time specialists. A designer interface that is friendly for the part-time user while remaining efficient for the full-time designer is thus becoming more important as well as more practical. Along with these developments, software tools in other scientific and engineering disciplines are proliferating. Thus, the optical designer is less and less unique in his use of computer-aided techniques and faces the challenge and opportunity of efficiently communicating his designs to other computer-aided-design (CAD), computer-aided-manufacturing (CAM), structural, thermal, and mechanical software tools. This paper will address the impact of these developments on the current and future directions of the CODE VTM optical design software package, its implementation, and the resulting lens design environment.

Representation of Serendipitous Scientific Data

NASA Technical Reports Server (NTRS)

James, Mark

2006-01-01

A computer program defines and implements an innovative kind of data structure than can be used for representing information derived from serendipitous discoveries made via collection of scientific data on long exploratory spacecraft missions. Data structures capable of collecting any kind of data can easily be implemented in advance, but the task of designing a fixed and efficient data structure suitable for processing raw data into useful information and taking advantage of serendipitous scientific discovery is becoming increasingly difficult as missions go deeper into space. The present software eases the task by enabling definition of arbitrarily complex data structures that can adapt at run time as raw data are transformed into other types of information. This software runs on a variety of computers, and can be distributed in either source code or binary code form. It must be run in conjunction with any one of a number of Lisp compilers that are available commercially or as shareware. It has no specific memory requirements and depends upon the other software with which it is used. This program is implemented as a library that is called by, and becomes folded into, the other software with which it is used.

Libraries for Software Use on Peregrine | High-Performance Computing | NREL

Science.gov Websites

-specific libraries. Libraries List Name Description BLAS Basic Linear Algebra Subroutines, libraries only managing hierarchically structured data. LAPACK Standard Netlib offering for computational linear algebra

Implementation of Interaction Algorithm to Non-Matching Discrete Interfaces Between Structure and Fluid Mesh

NASA Technical Reports Server (NTRS)

Chen, Shu-Po

1999-01-01

This paper presents software for solving the non-conforming fluid structure interfaces in aeroelastic simulation. It reviews the algorithm of interpolation and integration, highlights the flexibility and the user-friendly feature that allows the user to select the existing structure and fluid package, like NASTRAN and CLF3D, to perform the simulation. The presented software is validated by computing the High Speed Civil Transport model.

The Computational Infrastructure for Geodynamics as a Community of Practice

NASA Astrophysics Data System (ADS)

Hwang, L.; Kellogg, L. H.

2016-12-01

Computational Infrastructure for Geodynamics (CIG), geodynamics.org, originated in 2005 out of community recognition that the efforts of individual or small groups of researchers to develop scientifically-sound software is impossible to sustain, duplicates effort, and makes it difficult for scientists to adopt state-of-the art computational methods that promote new discovery. As a community of practice, participants in CIG share an interest in computational modeling in geodynamics and work together on open source software to build the capacity to support complex, extensible, scalable, interoperable, reliable, and reusable software in an effort to increase the return on investment in scientific software development and increase the quality of the resulting software. The group interacts regularly to learn from each other and better their practices formally through webinar series, workshops, and tutorials and informally through listservs and hackathons. Over the past decade, we have learned that successful scientific software development requires at a minimum: collaboration between domain-expert researchers, software developers and computational scientists; clearly identified and committed lead developer(s); well-defined scientific and computational goals that are regularly evaluated and updated; well-defined benchmarks and testing throughout development; attention throughout development to usability and extensibility; understanding and evaluation of the complexity of dependent libraries; and managed user expectations through education, training, and support. CIG's code donation standards provide the basis for recently formalized best practices in software development (geodynamics.org/cig/dev/best-practices/). Best practices include use of version control; widely used, open source software libraries; extensive test suites; portable configuration and build systems; extensive documentation internal and external to the code; and structured, human readable input formats.

Combining analysis with optimization at Langley Research Center. An evolutionary process

NASA Technical Reports Server (NTRS)

Rogers, J. L., Jr.

1982-01-01

The evolutionary process of combining analysis and optimization codes was traced with a view toward providing insight into the long term goal of developing the methodology for an integrated, multidisciplinary software system for the concurrent analysis and optimization of aerospace structures. It was traced along the lines of strength sizing, concurrent strength and flutter sizing, and general optimization to define a near-term goal for combining analysis and optimization codes. Development of a modular software system combining general-purpose, state-of-the-art, production-level analysis computer programs for structures, aerodynamics, and aeroelasticity with a state-of-the-art optimization program is required. Incorporation of a modular and flexible structural optimization software system into a state-of-the-art finite element analysis computer program will facilitate this effort. This effort results in the software system used that is controlled with a special-purpose language, communicates with a data management system, and is easily modified for adding new programs and capabilities. A 337 degree-of-freedom finite element model is used in verifying the accuracy of this system.

Parallel computations and control of adaptive structures

NASA Technical Reports Server (NTRS)

Park, K. C.; Alvin, Kenneth F.; Belvin, W. Keith; Chong, K. P. (Editor); Liu, S. C. (Editor); Li, J. C. (Editor)

1991-01-01

The equations of motion for structures with adaptive elements for vibration control are presented for parallel computations to be used as a software package for real-time control of flexible space structures. A brief introduction of the state-of-the-art parallel computational capability is also presented. Time marching strategies are developed for an effective use of massive parallel mapping, partitioning, and the necessary arithmetic operations. An example is offered for the simulation of control-structure interaction on a parallel computer and the impact of the approach presented for applications in other disciplines than aerospace industry is assessed.

Commercialization of NESSUS: Status

NASA Technical Reports Server (NTRS)

Thacker, Ben H.; Millwater, Harry R.

1991-01-01

A plan was initiated in 1988 to commercialize the Numerical Evaluation of Stochastic Structures Under Stress (NESSUS) probabilistic structural analysis software. The goal of the on-going commercialization effort is to begin the transfer of Probabilistic Structural Analysis Method (PSAM) developed technology into industry and to develop additional funding resources in the general area of structural reliability. The commercialization effort is summarized. The SwRI NESSUS Software System is a general purpose probabilistic finite element computer program using state of the art methods for predicting stochastic structural response due to random loads, material properties, part geometry, and boundary conditions. NESSUS can be used to assess structural reliability, to compute probability of failure, to rank the input random variables by importance, and to provide a more cost effective design than traditional methods. The goal is to develop a general probabilistic structural analysis methodology to assist in the certification of critical components in the next generation Space Shuttle Main Engine.

For operation of the Computer Software Management and Information Center (COSMIC)

NASA Technical Reports Server (NTRS)

Carmon, J. L.

1983-01-01

Computer programs for degaussing, magnetic field calculation, low speed wing flap systems aerodynamics, structural panel analysis, dynamic stress/strain data acquisition, allocation and network scheduling, and digital filters are discussed.

The Personal Computer in Mechanical Engineering Thermodynamics Courses.

ERIC Educational Resources Information Center

Romer, I. C., Jr.; Balmer, R. T.

1986-01-01

Describes experiences over several semesters with microcomputers in a mechanical engineering applied thermodynamics course. Includes course objectives, computer assignment structure, typical assignments, prewritten versus student-written software, and other topic areas. (JN)

The CSM testbed software system: A development environment for structural analysis methods on the NAS CRAY-2

NASA Technical Reports Server (NTRS)

Gillian, Ronnie E.; Lotts, Christine G.

1988-01-01

The Computational Structural Mechanics (CSM) Activity at Langley Research Center is developing methods for structural analysis on modern computers. To facilitate that research effort, an applications development environment has been constructed to insulate the researcher from the many computer operating systems of a widely distributed computer network. The CSM Testbed development system was ported to the Numerical Aerodynamic Simulator (NAS) Cray-2, at the Ames Research Center, to provide a high end computational capability. This paper describes the implementation experiences, the resulting capability, and the future directions for the Testbed on supercomputers.

The development of an engineering computer graphics laboratory

NASA Technical Reports Server (NTRS)

Anderson, D. C.; Garrett, R. E.

1975-01-01

Hardware and software systems developed to further research and education in interactive computer graphics were described, as well as several of the ongoing application-oriented projects, educational graphics programs, and graduate research projects. The software system consists of a FORTRAN 4 subroutine package, in conjunction with a PDP 11/40 minicomputer as the primary computation processor and the Imlac PDS-1 as an intelligent display processor. The package comprises a comprehensive set of graphics routines for dynamic, structured two-dimensional display manipulation, and numerous routines to handle a variety of input devices at the Imlac.

A new parallel-vector finite element analysis software on distributed-memory computers

NASA Technical Reports Server (NTRS)

Qin, Jiangning; Nguyen, Duc T.

1993-01-01

A new parallel-vector finite element analysis software package MPFEA (Massively Parallel-vector Finite Element Analysis) is developed for large-scale structural analysis on massively parallel computers with distributed-memory. MPFEA is designed for parallel generation and assembly of the global finite element stiffness matrices as well as parallel solution of the simultaneous linear equations, since these are often the major time-consuming parts of a finite element analysis. Block-skyline storage scheme along with vector-unrolling techniques are used to enhance the vector performance. Communications among processors are carried out concurrently with arithmetic operations to reduce the total execution time. Numerical results on the Intel iPSC/860 computers (such as the Intel Gamma with 128 processors and the Intel Touchstone Delta with 512 processors) are presented, including an aircraft structure and some very large truss structures, to demonstrate the efficiency and accuracy of MPFEA.

High-performance equation solvers and their impact on finite element analysis

NASA Technical Reports Server (NTRS)

Poole, Eugene L.; Knight, Norman F., Jr.; Davis, D. Dale, Jr.

1990-01-01

The role of equation solvers in modern structural analysis software is described. Direct and iterative equation solvers which exploit vectorization on modern high-performance computer systems are described and compared. The direct solvers are two Cholesky factorization methods. The first method utilizes a novel variable-band data storage format to achieve very high computation rates and the second method uses a sparse data storage format designed to reduce the number of operations. The iterative solvers are preconditioned conjugate gradient methods. Two different preconditioners are included; the first uses a diagonal matrix storage scheme to achieve high computation rates and the second requires a sparse data storage scheme and converges to the solution in fewer iterations that the first. The impact of using all of the equation solvers in a common structural analysis software system is demonstrated by solving several representative structural analysis problems.

High-performance equation solvers and their impact on finite element analysis

NASA Technical Reports Server (NTRS)

Poole, Eugene L.; Knight, Norman F., Jr.; Davis, D. D., Jr.

1992-01-01

The role of equation solvers in modern structural analysis software is described. Direct and iterative equation solvers which exploit vectorization on modern high-performance computer systems are described and compared. The direct solvers are two Cholesky factorization methods. The first method utilizes a novel variable-band data storage format to achieve very high computation rates and the second method uses a sparse data storage format designed to reduce the number od operations. The iterative solvers are preconditioned conjugate gradient methods. Two different preconditioners are included; the first uses a diagonal matrix storage scheme to achieve high computation rates and the second requires a sparse data storage scheme and converges to the solution in fewer iterations that the first. The impact of using all of the equation solvers in a common structural analysis software system is demonstrated by solving several representative structural analysis problems.

Structured Hierarchical Ada Presentation Using Pictographs (SHARP) definition, Application and Automation

DTIC Science & Technology

1986-09-01

implement a computer program as a function of the Function Point Total. As shown in Table 9, the software product (referred to as SPQR ) establishes the...language being used. Source code statements are defined in SPQR as consisting of executable statements and data definitions. The factors used to calculate... SPQR is a trademark of Software Productivity Research, Inc, 233 TABLE 9 NUMBER OF COMPUTER PROGRAM SOURCE STATEMENTS PER FUNCTION POINT TOTAL

Cost Estimation Techniques for C3I System Software.

DTIC Science & Technology

1984-07-01

opment manmonth have been determined for maxi, midi , and mini .1 type computers. Small to median size timeshared developments used 0.2 to 1.5 hours...development schedule 1.23 1.00 1.10 2.1.3 Detailed Model The final codification of the COCOMO regressions was the development of separate effort...regardless of the software structure level being estimated: D8VC -- the expected development computer (maxi. midi . mini, micro) MODE -- the expected

Parametric modelling design applied to weft knitted surfaces and its effects in their physical properties

NASA Astrophysics Data System (ADS)

Oliveira, N. P.; Maciel, L.; Catarino, A. P.; Rocha, A. M.

2017-10-01

This work proposes the creation of models of surfaces using a parametric computer modelling software to obtain three-dimensional structures in weft knitted fabrics produced on single needle system machines. Digital prototyping, another feature of digital modelling software, was also explored in three-dimensional drawings generated using the Rhinoceros software. With this approach, different 3D structures were developed and produced. Physical characterization tests were then performed on the resulting 3D weft knitted structures to assess their ability to promote comfort. From the obtained results, it is apparent that the developed structures have potential for application in different market segments, such as clothing and interior textiles.

CSM Testbed Development and Large-Scale Structural Applications

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Gillian, R. E.; Mccleary, Susan L.; Lotts, C. G.; Poole, E. L.; Overman, A. L.; Macy, S. C.

1989-01-01

A research activity called Computational Structural Mechanics (CSM) conducted at the NASA Langley Research Center is described. This activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM Testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM Testbed methods development environment is presented and some new numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

Ecological Structure Activity Relationships

EPA Science Inventory

Ecological Structure Activity Relationships, v1.00a, February 2009
ECOSAR (Ecological Structure Activity Relationships) is a personal computer software program that is used to estimate the toxicity of chemicals used in industry and discharged into water. The program predicts...

Producing genome structure populations with the dynamic and automated PGS software.

PubMed

Hua, Nan; Tjong, Harianto; Shin, Hanjun; Gong, Ke; Zhou, Xianghong Jasmine; Alber, Frank

2018-05-01

Chromosome conformation capture technologies such as Hi-C are widely used to investigate the spatial organization of genomes. Because genome structures can vary considerably between individual cells of a population, interpreting ensemble-averaged Hi-C data can be challenging, in particular for long-range and interchromosomal interactions. We pioneered a probabilistic approach for the generation of a population of distinct diploid 3D genome structures consistent with all the chromatin-chromatin interaction probabilities from Hi-C experiments. Each structure in the population is a physical model of the genome in 3D. Analysis of these models yields new insights into the causes and the functional properties of the genome's organization in space and time. We provide a user-friendly software package, called PGS, which runs on local machines (for practice runs) and high-performance computing platforms. PGS takes a genome-wide Hi-C contact frequency matrix, along with information about genome segmentation, and produces an ensemble of 3D genome structures entirely consistent with the input. The software automatically generates an analysis report, and provides tools to extract and analyze the 3D coordinates of specific domains. Basic Linux command-line knowledge is sufficient for using this software. A typical running time of the pipeline is ∼3 d with 300 cores on a computer cluster to generate a population of 1,000 diploid genome structures at topological-associated domain (TAD)-level resolution.

Software Infrastructure for Computer-aided Drug Discovery and Development, a Practical Example with Guidelines.

PubMed

Moretti, Loris; Sartori, Luca

2016-09-01

In the field of Computer-Aided Drug Discovery and Development (CADDD) the proper software infrastructure is essential for everyday investigations. The creation of such an environment should be carefully planned and implemented with certain features in order to be productive and efficient. Here we describe a solution to integrate standard computational services into a functional unit that empowers modelling applications for drug discovery. This system allows users with various level of expertise to run in silico experiments automatically and without the burden of file formatting for different software, managing the actual computation, keeping track of the activities and graphical rendering of the structural outcomes. To showcase the potential of this approach, performances of five different docking programs on an Hiv-1 protease test set are presented. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Advanced Software Techniques for Data Management Systems. Volume 2: Space Shuttle Flight Executive System: Functional Design

NASA Technical Reports Server (NTRS)

Pepe, J. T.

1972-01-01

A functional design of software executive system for the space shuttle avionics computer is presented. Three primary functions of the executive are emphasized in the design: task management, I/O management, and configuration management. The executive system organization is based on the applications software and configuration requirements established during the Phase B definition of the Space Shuttle program. Although the primary features of the executive system architecture were derived from Phase B requirements, it was specified for implementation with the IBM 4 Pi EP aerospace computer and is expected to be incorporated into a breadboard data management computer system at NASA Manned Spacecraft Center's Information system division. The executive system was structured for internal operation on the IBM 4 Pi EP system with its external configuration and applications software assumed to the characteristic of the centralized quad-redundant avionics systems defined in Phase B.

48 CFR 227.7203-15 - Subcontractor rights in computer software or computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... computer software or computer software documentation. 227.7203-15 Section 227.7203-15 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-15 Subcontractor rights in computer software or computer software documentation. (a...

48 CFR 227.7203-15 - Subcontractor rights in computer software or computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... computer software or computer software documentation. 227.7203-15 Section 227.7203-15 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-15 Subcontractor rights in computer software or computer software documentation. (a...

48 CFR 227.7203-15 - Subcontractor rights in computer software or computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... computer software or computer software documentation. 227.7203-15 Section 227.7203-15 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-15 Subcontractor rights in computer software or computer software documentation. (a...

48 CFR 227.7203-15 - Subcontractor rights in computer software or computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... computer software or computer software documentation. 227.7203-15 Section 227.7203-15 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-15 Subcontractor rights in computer software or computer software documentation. (a...

48 CFR 227.7203-15 - Subcontractor rights in computer software or computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... computer software or computer software documentation. 227.7203-15 Section 227.7203-15 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-15 Subcontractor rights in computer software or computer software documentation. (a...

A Software Laboratory Environment for Computer-Based Problem Solving.

ERIC Educational Resources Information Center

Kurtz, Barry L.; O'Neal, Micheal B.

This paper describes a National Science Foundation-sponsored project at Louisiana Technological University to develop computer-based laboratories for "hands-on" introductions to major topics of computer science. The underlying strategy is to develop structured laboratory environments that present abstract concepts through the use of…

48 CFR 227.7202 - Commercial computer software and commercial computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... software and commercial computer software documentation. 227.7202 Section 227.7202 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202 Commercial computer software and commercial computer software documentation. ...

48 CFR 227.7203 - Noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... software and noncommercial computer software documentation. 227.7203 Section 227.7203 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203 Noncommercial computer software and noncommercial computer software documentation. ...

48 CFR 227.7203 - Noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... software and noncommercial computer software documentation. 227.7203 Section 227.7203 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203 Noncommercial computer software and noncommercial computer software documentation. ...

48 CFR 227.7203 - Noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... software and noncommercial computer software documentation. 227.7203 Section 227.7203 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203 Noncommercial computer software and noncommercial computer software documentation. ...

48 CFR 227.7202 - Commercial computer software and commercial computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... software and commercial computer software documentation. 227.7202 Section 227.7202 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202 Commercial computer software and commercial computer software documentation. ...

48 CFR 227.7203 - Noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... software and noncommercial computer software documentation. 227.7203 Section 227.7203 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203 Noncommercial computer software and noncommercial computer software documentation. ...

48 CFR 227.7202 - Commercial computer software and commercial computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... software and commercial computer software documentation. 227.7202 Section 227.7202 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202 Commercial computer software and commercial computer software documentation. ...

48 CFR 227.7202 - Commercial computer software and commercial computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... software and commercial computer software documentation. 227.7202 Section 227.7202 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202 Commercial computer software and commercial computer software documentation. ...

48 CFR 227.7202 - Commercial computer software and commercial computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... software and commercial computer software documentation. 227.7202 Section 227.7202 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202 Commercial computer software and commercial computer software documentation. ...

48 CFR 227.7203 - Noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... software and noncommercial computer software documentation. 227.7203 Section 227.7203 Federal Acquisition... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203 Noncommercial computer software and noncommercial computer software documentation. ...

The computational structural mechanics testbed architecture. Volume 4: The global-database manager GAL-DBM

NASA Technical Reports Server (NTRS)

Wright, Mary A.; Regelbrugge, Marc E.; Felippa, Carlos A.

1989-01-01

This is the fourth of a set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language CLAMP, the command language interpreter CLIP, and the data manager GAL. Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 4 describes the nominal-record data management component of the NICE software. It is intended for all users.

Quantitative evaluation of software packages for single-molecule localization microscopy.

PubMed

Sage, Daniel; Kirshner, Hagai; Pengo, Thomas; Stuurman, Nico; Min, Junhong; Manley, Suliana; Unser, Michael

2015-08-01

The quality of super-resolution images obtained by single-molecule localization microscopy (SMLM) depends largely on the software used to detect and accurately localize point sources. In this work, we focus on the computational aspects of super-resolution microscopy and present a comprehensive evaluation of localization software packages. Our philosophy is to evaluate each package as a whole, thus maintaining the integrity of the software. We prepared synthetic data that represent three-dimensional structures modeled after biological components, taking excitation parameters, noise sources, point-spread functions and pixelation into account. We then asked developers to run their software on our data; most responded favorably, allowing us to present a broad picture of the methods available. We evaluated their results using quantitative and user-interpretable criteria: detection rate, accuracy, quality of image reconstruction, resolution, software usability and computational resources. These metrics reflect the various tradeoffs of SMLM software packages and help users to choose the software that fits their needs.

48 CFR 227.7202-3 - Rights in commercial computer software or commercial computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... computer software or commercial computer software documentation. 227.7202-3 Section 227.7202-3 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-3 Rights in commercial computer software or commercial computer software documentation...

48 CFR 227.7202-3 - Rights in commercial computer software or commercial computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... computer software or commercial computer software documentation. 227.7202-3 Section 227.7202-3 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-3 Rights in commercial computer software or commercial computer software documentation...

48 CFR 227.7203-2 - Acquisition of noncommercial computer software and computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... noncommercial computer software and computer software documentation. 227.7203-2 Section 227.7203-2 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-2 Acquisition of noncommercial computer software and computer software documentation. (a...

48 CFR 227.7203-2 - Acquisition of noncommercial computer software and computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... noncommercial computer software and computer software documentation. 227.7203-2 Section 227.7203-2 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-2 Acquisition of noncommercial computer software and computer software documentation. (a...

48 CFR 227.7203-2 - Acquisition of noncommercial computer software and computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... noncommercial computer software and computer software documentation. 227.7203-2 Section 227.7203-2 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-2 Acquisition of noncommercial computer software and computer software documentation. (a...

48 CFR 227.7203-10 - Contractor identification and marking of computer software or computer software documentation to...

Code of Federal Regulations, 2014 CFR

2014-10-01

... and marking of computer software or computer software documentation to be furnished with restrictive... Rights in Computer Software and Computer Software Documentation 227.7203-10 Contractor identification and marking of computer software or computer software documentation to be furnished with restrictive markings...

48 CFR 227.7203-2 - Acquisition of noncommercial computer software and computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... noncommercial computer software and computer software documentation. 227.7203-2 Section 227.7203-2 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-2 Acquisition of noncommercial computer software and computer software documentation. (a...

48 CFR 227.7202-3 - Rights in commercial computer software or commercial computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... computer software or commercial computer software documentation. 227.7202-3 Section 227.7202-3 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-3 Rights in commercial computer software or commercial computer software documentation...

48 CFR 227.7203-10 - Contractor identification and marking of computer software or computer software documentation to...

Code of Federal Regulations, 2011 CFR

2011-10-01

... and marking of computer software or computer software documentation to be furnished with restrictive... Rights in Computer Software and Computer Software Documentation 227.7203-10 Contractor identification and marking of computer software or computer software documentation to be furnished with restrictive markings...

48 CFR 227.7202-3 - Rights in commercial computer software or commercial computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... computer software or commercial computer software documentation. 227.7202-3 Section 227.7202-3 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-3 Rights in commercial computer software or commercial computer software documentation...

48 CFR 227.7203-10 - Contractor identification and marking of computer software or computer software documentation to...

Code of Federal Regulations, 2012 CFR

2012-10-01

... and marking of computer software or computer software documentation to be furnished with restrictive... Rights in Computer Software and Computer Software Documentation 227.7203-10 Contractor identification and marking of computer software or computer software documentation to be furnished with restrictive markings...

48 CFR 227.7202-3 - Rights in commercial computer software or commercial computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... computer software or commercial computer software documentation. 227.7202-3 Section 227.7202-3 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-3 Rights in commercial computer software or commercial computer software documentation...

48 CFR 227.7203-10 - Contractor identification and marking of computer software or computer software documentation to...

Code of Federal Regulations, 2010 CFR

2010-10-01

... and marking of computer software or computer software documentation to be furnished with restrictive... Rights in Computer Software and Computer Software Documentation 227.7203-10 Contractor identification and marking of computer software or computer software documentation to be furnished with restrictive markings...

48 CFR 227.7203-10 - Contractor identification and marking of computer software or computer software documentation to...

Code of Federal Regulations, 2013 CFR

2013-10-01

... and marking of computer software or computer software documentation to be furnished with restrictive... Rights in Computer Software and Computer Software Documentation 227.7203-10 Contractor identification and marking of computer software or computer software documentation to be furnished with restrictive markings...

48 CFR 227.7203-2 - Acquisition of noncommercial computer software and computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... noncommercial computer software and computer software documentation. 227.7203-2 Section 227.7203-2 Federal... CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-2 Acquisition of noncommercial computer software and computer software documentation. (a...

RNAdualPF: software to compute the dual partition function with sample applications in molecular evolution theory.

PubMed

Garcia-Martin, Juan Antonio; Bayegan, Amir H; Dotu, Ivan; Clote, Peter

2016-10-19

RNA inverse folding is the problem of finding one or more sequences that fold into a user-specified target structure s 0 , i.e. whose minimum free energy secondary structure is identical to the target s 0 . Here we consider the ensemble of all RNA sequences that have low free energy with respect to a given target s 0 . We introduce the program RNAdualPF, which computes the dual partition function Z ∗ , defined as the sum of Boltzmann factors exp(-E(a,s 0 )/RT) of all RNA nucleotide sequences a compatible with target structure s 0 . Using RNAdualPF, we efficiently sample RNA sequences that approximately fold into s 0 , where additionally the user can specify IUPAC sequence constraints at certain positions, and whether to include dangles (energy terms for stacked, single-stranded nucleotides). Moreover, since we also compute the dual partition function Z ∗ (k) over all sequences having GC-content k, the user can require that all sampled sequences have a precise, specified GC-content. Using Z ∗ , we compute the dual expected energy 〈E ∗ 〉, and use it to show that natural RNAs from the Rfam 12.0 database have higher minimum free energy than expected, thus suggesting that functional RNAs are under evolutionary pressure to be only marginally thermodynamically stable. We show that C. elegans precursor microRNA (pre-miRNA) is significantly non-robust with respect to mutations, by comparing the robustness of each wild type pre-miRNA sequence with 2000 [resp. 500] sequences of the same GC-content generated by RNAdualPF, which approximately [resp. exactly] fold into the wild type target structure. We confirm and strengthen earlier findings that precursor microRNAs and bacterial small noncoding RNAs display plasticity, a measure of structural diversity. We describe RNAdualPF, which rapidly computes the dual partition function Z ∗ and samples sequences having low energy with respect to a target structure, allowing sequence constraints and specified GC-content. Using different inverse folding software, another group had earlier shown that pre-miRNA is mutationally robust, even controlling for compositional bias. Our opposite conclusion suggests a cautionary note that computationally based insights into molecular evolution may heavily depend on the software used. C/C++-software for RNAdualPF is available at http://bioinformatics.bc.edu/clotelab/RNAdualPF .

Virtual deposition plant

NASA Astrophysics Data System (ADS)

Tikhonravov, Alexander

2005-09-01

A general structure of the software for computational manufacturing experiments is discussed. It is shown that computational experiments can be useful for checking feasibility properties of theoretical designs and for finding the most practical theoretical design for a given production environment.

NDE scanning and imaging of aircraft structure

NASA Astrophysics Data System (ADS)

Bailey, Donald; Kepler, Carl; Le, Cuong

1995-07-01

The Science and Engineering Lab at McClellan Air Force Base, Sacramento, Calif. has been involved in the development and use of computer-based scanning systems for NDE (nondestructive evaluation) since 1985. This paper describes the history leading up to our current applications which employ eddy current and ultrasonic scanning of aircraft structures that contain both metallics and advanced composites. The scanning is performed using industrialized computers interfaced to proprietary acquisition equipment and software. Examples are shown that image several types of damage such as exfoliation and fuselage lap joint corrosion in aluminum, impact damage, embedded foreign material, and porosity in Kevlar and graphite epoxy composites. Image analysis techniques are reported that are performed using consumer oriented computer hardware and software that are not NDE specific and not expensive

AI tools in computer based problem solving

NASA Technical Reports Server (NTRS)

Beane, Arthur J.

1988-01-01

The use of computers to solve value oriented, deterministic, algorithmic problems, has evolved a structured life cycle model of the software process. The symbolic processing techniques used, primarily in research, for solving nondeterministic problems, and those for which an algorithmic solution is unknown, have evolved a different model, much less structured. Traditionally, the two approaches have been used completely independently. With the advent of low cost, high performance 32 bit workstations executing identical software with large minicomputers and mainframes, it became possible to begin to merge both models into a single extended model of computer problem solving. The implementation of such an extended model on a VAX family of micro/mini/mainframe systems is described. Examples in both development and deployment of applications involving a blending of AI and traditional techniques are given.

48 CFR 227.7203-16 - Providing computer software or computer software documentation to foreign governments, foreign...

Code of Federal Regulations, 2011 CFR

2011-10-01

... software or computer software documentation to foreign governments, foreign contractors, or international... Rights in Computer Software and Computer Software Documentation 227.7203-16 Providing computer software or computer software documentation to foreign governments, foreign contractors, or international...

48 CFR 227.7203-16 - Providing computer software or computer software documentation to foreign governments, foreign...

Code of Federal Regulations, 2013 CFR

2013-10-01

... software or computer software documentation to foreign governments, foreign contractors, or international... Rights in Computer Software and Computer Software Documentation 227.7203-16 Providing computer software or computer software documentation to foreign governments, foreign contractors, or international...

48 CFR 227.7203-16 - Providing computer software or computer software documentation to foreign governments, foreign...

Code of Federal Regulations, 2012 CFR

2012-10-01

... software or computer software documentation to foreign governments, foreign contractors, or international... Rights in Computer Software and Computer Software Documentation 227.7203-16 Providing computer software or computer software documentation to foreign governments, foreign contractors, or international...

48 CFR 227.7203-16 - Providing computer software or computer software documentation to foreign governments, foreign...

Code of Federal Regulations, 2014 CFR

2014-10-01

... software or computer software documentation to foreign governments, foreign contractors, or international... Rights in Computer Software and Computer Software Documentation 227.7203-16 Providing computer software or computer software documentation to foreign governments, foreign contractors, or international...

48 CFR 227.7203-16 - Providing computer software or computer software documentation to foreign governments, foreign...

Code of Federal Regulations, 2010 CFR

2010-10-01

... software or computer software documentation to foreign governments, foreign contractors, or international... Rights in Computer Software and Computer Software Documentation 227.7203-16 Providing computer software or computer software documentation to foreign governments, foreign contractors, or international...

48 CFR 227.7203-3 - Early identification of computer software or computer software documentation to be furnished to...

Code of Federal Regulations, 2010 CFR

2010-10-01

... computer software or computer software documentation to be furnished to the Government with restrictions on..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-3 Early identification of computer software or computer software documentation to be furnished to the Government with...

48 CFR 227.7203-3 - Early identification of computer software or computer software documentation to be furnished to...

Code of Federal Regulations, 2012 CFR

2012-10-01

... computer software or computer software documentation to be furnished to the Government with restrictions on..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-3 Early identification of computer software or computer software documentation to be furnished to the Government with...

48 CFR 227.7203-3 - Early identification of computer software or computer software documentation to be furnished to...

Code of Federal Regulations, 2011 CFR

2011-10-01

... computer software or computer software documentation to be furnished to the Government with restrictions on..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-3 Early identification of computer software or computer software documentation to be furnished to the Government with...

48 CFR 227.7203-3 - Early identification of computer software or computer software documentation to be furnished to...

Code of Federal Regulations, 2013 CFR

2013-10-01

... computer software or computer software documentation to be furnished to the Government with restrictions on..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-3 Early identification of computer software or computer software documentation to be furnished to the Government with...

48 CFR 227.7203-3 - Early identification of computer software or computer software documentation to be furnished to...

Code of Federal Regulations, 2014 CFR

2014-10-01

... computer software or computer software documentation to be furnished to the Government with restrictions on..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-3 Early identification of computer software or computer software documentation to be furnished to the Government with...

Structure simulation with calculated NMR parameters - integrating COSMOS into the CCPN framework.

PubMed

Schneider, Olaf; Fogh, Rasmus H; Sternberg, Ulrich; Klenin, Konstantin; Kondov, Ivan

2012-01-01

The Collaborative Computing Project for NMR (CCPN) has build a software framework consisting of the CCPN data model (with APIs) for NMR related data, the CcpNmr Analysis program and additional tools like CcpNmr FormatConverter. The open architecture allows for the integration of external software to extend the abilities of the CCPN framework with additional calculation methods. Recently, we have carried out the first steps for integrating our software Computer Simulation of Molecular Structures (COSMOS) into the CCPN framework. The COSMOS-NMR force field unites quantum chemical routines for the calculation of molecular properties with a molecular mechanics force field yielding the relative molecular energies. COSMOS-NMR allows introducing NMR parameters as constraints into molecular mechanics calculations. The resulting infrastructure will be made available for the NMR community. As a first application we have tested the evaluation of calculated protein structures using COSMOS-derived 13C Cα and Cβ chemical shifts. In this paper we give an overview of the methodology and a roadmap for future developments and applications.

Computing and software

USGS Publications Warehouse

White, Gary C.; Hines, J.E.

2004-01-01

The reality is that the statistical methods used for analysis of data depend upon the availability of software. Analysis of marked animal data is no different than the rest of the statistical field. The methods used for analysis are those that are available in reliable software packages. Thus, the critical importance of having reliable, up–to–date software available to biologists is obvious. Statisticians have continued to develop more robust models, ever expanding the suite of potential analysis methodsavailable. But without software to implement these newer methods, they will languish in the abstract, and not be applied to the problems deserving them.In the Computers and Software Session, two new software packages are described, a comparison of implementation of methods for the estimation of nest survival is provided, and a more speculative paper about how the next generation of software might be structured is presented.Rotella et al. (2004) compare nest survival estimation with different software packages: SAS logistic regression, SAS non–linear mixed models, and Program MARK. Nests are assumed to be visited at various, possibly infrequent, intervals. All of the approaches described compute nest survival with the same likelihood, and require that the age of the nest is known to account for nests that eventually hatch. However, each approach offers advantages and disadvantages, explored by Rotella et al. (2004).Efford et al. (2004) present a new software package called DENSITY. The package computes population abundance and density from trapping arrays and other detection methods with a new and unique approach. DENSITY represents the first major addition to the analysis of trapping arrays in 20 years.Barker & White (2004) discuss how existing software such as Program MARK require that each new model’s likelihood must be programmed specifically for that model. They wishfully think that future software might allow the user to combine pieces of likelihood functions together to generate estimates. The idea is interesting, and maybe some bright young statistician can work out the specifics to implement the procedure.Choquet et al. (2004) describe MSURGE, a software package that implements the multistate capture–recapture models. The unique feature of MSURGE is that the design matrix is constructed with an interpreted language called GEMACO. Because MSURGE is limited to just multistate models, the special requirements of these likelihoods can be provided.The software and methods presented in these papers gives biologists and wildlife managers an expanding range of possibilities for data analysis. Although ease–of–use is generally getting better, it does not replace the need for understanding of the requirements and structure of the models being computed. The internet provides access to many free software packages as well as user–discussion groups to share knowledge and ideas. (A starting point for wildlife–related applications is (http://www.phidot.org).

Algorithms and software for solving finite element equations on serial and parallel architectures

NASA Technical Reports Server (NTRS)

George, Alan

1989-01-01

Over the past 15 years numerous new techniques have been developed for solving systems of equations and eigenvalue problems arising in finite element computations. A package called SPARSPAK has been developed by the author and his co-workers which exploits these new methods. The broad objective of this research project is to incorporate some of this software in the Computational Structural Mechanics (CSM) testbed, and to extend the techniques for use on multiprocessor architectures.

Software to model AXAF-I image quality

NASA Technical Reports Server (NTRS)

Ahmad, Anees; Feng, Chen

1995-01-01

A modular user-friendly computer program for the modeling of grazing-incidence type x-ray optical systems has been developed. This comprehensive computer software GRAZTRACE covers the manipulation of input data, ray tracing with reflectivity and surface deformation effects, convolution with x-ray source shape, and x-ray scattering. The program also includes the capabilities for image analysis, detector scan modeling, and graphical presentation of the results. A number of utilities have been developed to interface the predicted Advanced X-ray Astrophysics Facility-Imaging (AXAF-I) mirror structural and thermal distortions with the ray-trace. This software is written in FORTRAN 77 and runs on a SUN/SPARC station. An interactive command mode version and a batch mode version of the software have been developed.

Efficient Predictions of Excited State for Nanomaterials Using Aces 3 and 4

DTIC Science & Technology

2017-12-20

by first-principle methods in the software package ACES by using large parallel computers, growing tothe exascale. 15. SUBJECT TERMS Computer...modeling, excited states, optical properties, structure, stability, activation barriers first principle methods , parallel computing 16. SECURITY...2 Progress with new density functional methods

Development of the disable software reporting system on the basis of the neural network

NASA Astrophysics Data System (ADS)

Gavrylenko, S.; Babenko, O.; Ignatova, E.

2018-04-01

The PE structure of malicious and secure software is analyzed, features are highlighted, binary sign vectors are obtained and used as inputs for training the neural network. A software model for detecting malware based on the ART-1 neural network was developed, optimal similarity coefficients were found, and testing was performed. The obtained research results showed the possibility of using the developed system of identifying malicious software in computer systems protection systems

The computational structural mechanics testbed procedures manual

NASA Technical Reports Server (NTRS)

Stewart, Caroline B. (Compiler)

1991-01-01

The purpose of this manual is to document the standard high level command language procedures of the Computational Structural Mechanics (CSM) Testbed software system. A description of each procedure including its function, commands, data interface, and use is presented. This manual is designed to assist users in defining and using command procedures to perform structural analysis in the CSM Testbed User's Manual and the CSM Testbed Data Library Description.

Analyzing Sliding Stability of Structures Using the Modified Computer Program GWALL. Revision,

DTIC Science & Technology

1983-11-01

R136 954 RNRLYZING SLIDING STRBILITY OF STRUCTURES USING THE i/i MODIFIED COMPUTER PRO..(U) ARMY ENGINEER WATERRYS EXPERIMENT STATION VICKSBURG MS...GWALL and/or the graphics software package, Graphics Compati- bility System (GCS). Input Features 4. GWALL is very easy to use because it allows the...Prepared Data File 9. Time-sharing computer systems do not always respond quickly to the userts commands, especially when there are many users

48 CFR 227.7203-14 - Conformity, acceptance, and warranty of computer software and computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

..., and warranty of computer software and computer software documentation. 227.7203-14 Section 227.7203-14... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-14 Conformity, acceptance, and warranty of computer software and computer...

48 CFR 227.7203-14 - Conformity, acceptance, and warranty of computer software and computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

..., and warranty of computer software and computer software documentation. 227.7203-14 Section 227.7203-14... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-14 Conformity, acceptance, and warranty of computer software and computer...

48 CFR 227.7203-14 - Conformity, acceptance, and warranty of computer software and computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

..., and warranty of computer software and computer software documentation. 227.7203-14 Section 227.7203-14... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-14 Conformity, acceptance, and warranty of computer software and computer...

48 CFR 227.7203-14 - Conformity, acceptance, and warranty of computer software and computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

..., and warranty of computer software and computer software documentation. 227.7203-14 Section 227.7203-14... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-14 Conformity, acceptance, and warranty of computer software and computer...

48 CFR 227.7203-14 - Conformity, acceptance, and warranty of computer software and computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

..., and warranty of computer software and computer software documentation. 227.7203-14 Section 227.7203-14... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-14 Conformity, acceptance, and warranty of computer software and computer...

Diagnostic ability of computed tomography using DentaScan software in endodontics: case reports.

PubMed

Siotia, Jaya; Gupta, Sunil K; Acharya, Shashi R; Saraswathi, Vidya

2011-01-01

Radiographic examination is essential in diagnosis and treatment planning in endodontics. Conventional radiographs depict structures in two dimensions only. The ability to assess the area of interest in three dimensions is advantageous. Computed tomography is an imaging technique which produces three-dimensional images of an object by taking a series of two-dimensional sectional X-ray images. DentaScan is a computed tomography software program that allows the mandible and maxilla to be imaged in three planes: axial, panoramic, and cross-sectional. As computed tomography is used in endodontics, DentaScan can play a wider role in endodontic diagnosis. It provides valuable information in the assessment of the morphology of the root canal, diagnosis of root fractures, internal and external resorptions, pre-operative assessment of anatomic structures etc. The aim of this article is to explore the clinical usefulness of computed tomography and DentaScan in endodontic diagnosis, through a series of four cases of different endodontic problems.

Tool for analysis of early age transverse cracking of composite bridge decks.

DOT National Transportation Integrated Search

2011-08-29

"Executive Summary: Computational methods and associated software were developed : to compute stresses in HP concrete composite bridge decks due to temperature, shrinkage, and : vehicle loading. The structural analysis program uses a layered finite e...

Busting out of crystallography's Sisyphean prison: from pencil and paper to structure solving at the press of a button: past, present and future of crystallographic software development, maintenance and distribution.

PubMed

Cranswick, Lachlan Michael David

2008-01-01

The history of crystallographic computing and use of crystallographic software is one which traces the escape from the drudgery of manual human calculations to a world where the user delegates most of the travail to electronic computers. In practice, this involves practising crystallographers communicating their thoughts to the crystallographic program authors, in the hope that new procedures will be implemented within their software. Against this background, the development of small-molecule single-crystal and powder diffraction software is traced. Starting with the analogue machines and the use of Hollerith tabulators of the late 1930's, it is shown that computing developments have been science led, with new technologies being harnessed to solve pressing crystallographic problems. The development of software is also traced, with a final caution that few of the computations now performed daily are really understood by the program users. Unless a sufficient body of people continues to dismantle and re-build programs, the knowledge encoded in the old programs will become as inaccessible as the knowledge of how to build the Great Pyramid at Giza.

Automated software for analysis of ciliary beat frequency and metachronal wave orientation in primary ciliary dyskinesia.

PubMed

Mantovani, Giulia; Pifferi, Massimo; Vozzi, Giovanni

2010-06-01

Patients with primary ciliary dyskinesia (PCD) have structural and/or functional alterations of cilia that imply deficits in mucociliary clearance and different respiratory pathologies. A useful indicator for the difficult diagnosis is the ciliary beat frequency (CBF) that is significantly lower in pathological cases than in physiological ones. The CBF computation is not rapid, therefore, the aim of this study is to propose an automated method to evaluate it directly from videos of ciliated cells. The cells are taken from inferior nasal turbinates and videos of ciliary movements are registered and eventually processed by the developed software. The software consists in the extraction of features from videos (written with C++ language) and the computation of the frequency (written with Matlab language). This system was tested both on the samples of nasal cavity and software models, and the results were really promising because in a few seconds, it can compute a reliable frequency if compared with that measured with visual methods. It is to be noticed that the reliability of the computation increases with the quality of acquisition system and especially with the sampling frequency. It is concluded that the developed software could be a useful mean for PCD diagnosis.

A Simplified Mesh Deformation Method Using Commercial Structural Analysis Software

NASA Technical Reports Server (NTRS)

Hsu, Su-Yuen; Chang, Chau-Lyan; Samareh, Jamshid

2004-01-01

Mesh deformation in response to redefined or moving aerodynamic surface geometries is a frequently encountered task in many applications. Most existing methods are either mathematically too complex or computationally too expensive for usage in practical design and optimization. We propose a simplified mesh deformation method based on linear elastic finite element analyses that can be easily implemented by using commercially available structural analysis software. Using a prescribed displacement at the mesh boundaries, a simple structural analysis is constructed based on a spatially varying Young s modulus to move the entire mesh in accordance with the surface geometry redefinitions. A variety of surface movements, such as translation, rotation, or incremental surface reshaping that often takes place in an optimization procedure, may be handled by the present method. We describe the numerical formulation and implementation using the NASTRAN software in this paper. The use of commercial software bypasses tedious reimplementation and takes advantage of the computational efficiency offered by the vendor. A two-dimensional airfoil mesh and a three-dimensional aircraft mesh were used as test cases to demonstrate the effectiveness of the proposed method. Euler and Navier-Stokes calculations were performed for the deformed two-dimensional meshes.

Parallel Domain Decomposition Formulation and Software for Large-Scale Sparse Symmetrical/Unsymmetrical Aeroacoustic Applications

NASA Technical Reports Server (NTRS)

Nguyen, D. T.; Watson, Willie R. (Technical Monitor)

2005-01-01

The overall objectives of this research work are to formulate and validate efficient parallel algorithms, and to efficiently design/implement computer software for solving large-scale acoustic problems, arised from the unified frameworks of the finite element procedures. The adopted parallel Finite Element (FE) Domain Decomposition (DD) procedures should fully take advantages of multiple processing capabilities offered by most modern high performance computing platforms for efficient parallel computation. To achieve this objective. the formulation needs to integrate efficient sparse (and dense) assembly techniques, hybrid (or mixed) direct and iterative equation solvers, proper pre-conditioned strategies, unrolling strategies, and effective processors' communicating schemes. Finally, the numerical performance of the developed parallel finite element procedures will be evaluated by solving series of structural, and acoustic (symmetrical and un-symmetrical) problems (in different computing platforms). Comparisons with existing "commercialized" and/or "public domain" software are also included, whenever possible.

48 CFR 227.7203-8 - Deferred delivery and deferred ordering of computer software and computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... deferred ordering of computer software and computer software documentation. 227.7203-8 Section 227.7203-8... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-8 Deferred delivery and deferred ordering of computer software and computer...

48 CFR 227.7203-8 - Deferred delivery and deferred ordering of computer software and computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... deferred ordering of computer software and computer software documentation. 227.7203-8 Section 227.7203-8... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-8 Deferred delivery and deferred ordering of computer software and computer...

48 CFR 227.7203-8 - Deferred delivery and deferred ordering of computer software and computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... deferred ordering of computer software and computer software documentation. 227.7203-8 Section 227.7203-8... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-8 Deferred delivery and deferred ordering of computer software and computer...

48 CFR 227.7203-8 - Deferred delivery and deferred ordering of computer software and computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... deferred ordering of computer software and computer software documentation. 227.7203-8 Section 227.7203-8... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-8 Deferred delivery and deferred ordering of computer software and computer...

48 CFR 227.7203-8 - Deferred delivery and deferred ordering of computer software and computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... deferred ordering of computer software and computer software documentation. 227.7203-8 Section 227.7203-8... GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-8 Deferred delivery and deferred ordering of computer software and computer...

Stencil computations for PDE-based applications with examples from DUNE and hypre

DOE Office of Scientific and Technical Information (OSTI.GOV)

Engwer, C.; Falgout, R. D.; Yang, U. M.

Here, stencils are commonly used to implement efficient on–the–fly computations of linear operators arising from partial differential equations. At the same time the term “stencil” is not fully defined and can be interpreted differently depending on the application domain and the background of the software developers. Common features in stencil codes are the preservation of the structure given by the discretization of the partial differential equation and the benefit of minimal data storage. We discuss stencil concepts of different complexity, show how they are used in modern software packages like hypre and DUNE, and discuss recent efforts to extend themore » software to enable stencil computations of more complex problems and methods such as inf–sup–stable Stokes discretizations and mixed finite element discretizations.« less

Stencil computations for PDE-based applications with examples from DUNE and hypre

DOE PAGES

Engwer, C.; Falgout, R. D.; Yang, U. M.

2017-02-24

Here, stencils are commonly used to implement efficient on–the–fly computations of linear operators arising from partial differential equations. At the same time the term “stencil” is not fully defined and can be interpreted differently depending on the application domain and the background of the software developers. Common features in stencil codes are the preservation of the structure given by the discretization of the partial differential equation and the benefit of minimal data storage. We discuss stencil concepts of different complexity, show how they are used in modern software packages like hypre and DUNE, and discuss recent efforts to extend themore » software to enable stencil computations of more complex problems and methods such as inf–sup–stable Stokes discretizations and mixed finite element discretizations.« less

Averting Denver Airports on a Chip

NASA Technical Reports Server (NTRS)

Sullivan, Kevin J.

1995-01-01

As a result of recent advances in software engineering capabilities, we are now in a more stable environment. De-facto hardware and software standards are emerging. Work on software architecture and design patterns signals a consensus on the importance of early system-level design decisions, and agreements on the uses of certain paradigmatic software structures. We now routinely build systems that would have been risky or infeasible a few years ago. Unfortunately, technological developments threaten to destabilize software design again. Systems designed around novel computing and peripheral devices will spark ambitious new projects that will stress current software design and engineering capabilities. Micro-electro-mechanical systems (MEMS) and related technologies provide the physical basis for new systems with the potential to produce this kind of destabilizing effect. One important response to anticipated software engineering and design difficulties is carefully directed engineering-scientific research. Two specific problems meriting substantial research attention are: A lack of sufficient means to build software systems by generating, extending, specializing, and integrating large-scale reusable components; and a lack of adequate computational and analytic tools to extend and aid engineers in maintaining intellectual control over complex software designs.

OpenStructure: a flexible software framework for computational structural biology.

PubMed

Biasini, Marco; Mariani, Valerio; Haas, Jürgen; Scheuber, Stefan; Schenk, Andreas D; Schwede, Torsten; Philippsen, Ansgar

2010-10-15

Developers of new methods in computational structural biology are often hampered in their research by incompatible software tools and non-standardized data formats. To address this problem, we have developed OpenStructure as a modular open source platform to provide a powerful, yet flexible general working environment for structural bioinformatics. OpenStructure consists primarily of a set of libraries written in C++ with a cleanly designed application programmer interface. All functionality can be accessed directly in C++ or in a Python layer, meeting both the requirements for high efficiency and ease of use. Powerful selection queries and the notion of entity views to represent these selections greatly facilitate the development and implementation of algorithms on structural data. The modular integration of computational core methods with powerful visualization tools makes OpenStructure an ideal working and development environment. Several applications, such as the latest versions of IPLT and QMean, have been implemented based on OpenStructure-demonstrating its value for the development of next-generation structural biology algorithms. Source code licensed under the GNU lesser general public license and binaries for MacOS X, Linux and Windows are available for download at http://www.openstructure.org. torsten.schwede@unibas.ch Supplementary data are available at Bioinformatics online.

What Are HyperCard? (Part 2).

ERIC Educational Resources Information Center

Marcus, Stephen

1989-01-01

Presents the second article in a two-part series on HyperCard materials (computer software used to build structures that create patterns and connections) designed for English and language arts classes. Suggests assignments for use with early HyperCard software that can be adapted to a variety of nonverbal "stackware." (MM)

Improving DHH Students' Grammar through an Individualized Software Program

ERIC Educational Resources Information Center

Cannon, Joanna E.; Easterbrooks, Susan R.; Gagne, Phill; Beal-Alvarez, Jennifer

2011-01-01

The purpose of this study was to determine if the frequent use of a targeted, computer software grammar instruction program, used as an individualized classroom activity, would influence the comprehension of morphosyntax structures (determiners, tense, and complementizers) in deaf/hard-of-hearing (DHH) participants who use American Sign Language…

48 CFR 252.227-7014 - Rights in noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... computer software and noncommercial computer software documentation. 252.227-7014 Section 252.227-7014... Rights in noncommercial computer software and noncommercial computer software documentation. As prescribed in 227.7203-6(a)(1), use the following clause. Rights in Noncommercial Computer Software and...

48 CFR 252.227-7014 - Rights in noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2012 CFR

2012-10-01

... computer software and noncommercial computer software documentation. 252.227-7014 Section 252.227-7014... Rights in noncommercial computer software and noncommercial computer software documentation. As prescribed in 227.7203-6(a)(1), use the following clause. Rights in Noncommercial Computer Software and...

48 CFR 252.227-7014 - Rights in noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... computer software and noncommercial computer software documentation. 252.227-7014 Section 252.227-7014... Rights in noncommercial computer software and noncommercial computer software documentation. As prescribed in 227.7203-6(a)(1), use the following clause. Rights in Noncommercial Computer Software and...

48 CFR 252.227-7014 - Rights in noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... computer software and noncommercial computer software documentation. 252.227-7014 Section 252.227-7014... Rights in noncommercial computer software and noncommercial computer software documentation. As prescribed in 227.7203-6(a)(1), use the following clause. Rights in Noncommercial Computer Software and...

48 CFR 252.227-7014 - Rights in noncommercial computer software and noncommercial computer software documentation.

Code of Federal Regulations, 2010 CFR

2010-10-01

... computer software and noncommercial computer software documentation. 252.227-7014 Section 252.227-7014... Rights in noncommercial computer software and noncommercial computer software documentation. As prescribed in 227.7203-6(a)(1), use the following clause. Rights in Noncommercial Computer Software and...

Advanced Methodology for Simulation of Complex Flows Using Structured Grid Systems

NASA Technical Reports Server (NTRS)

Steinthorsson, Erlendur; Modiano, David

1995-01-01

Detailed simulations of viscous flows in complicated geometries pose a significant challenge to current capabilities of Computational Fluid Dynamics (CFD). To enable routine application of CFD to this class of problems, advanced methodologies are required that employ (a) automated grid generation, (b) adaptivity, (c) accurate discretizations and efficient solvers, and (d) advanced software techniques. Each of these ingredients contributes to increased accuracy, efficiency (in terms of human effort and computer time), and/or reliability of CFD software. In the long run, methodologies employing structured grid systems will remain a viable choice for routine simulation of flows in complex geometries only if genuinely automatic grid generation techniques for structured grids can be developed and if adaptivity is employed more routinely. More research in both these areas is urgently needed.

Application and systems software in Ada: Development experiences

NASA Technical Reports Server (NTRS)

Kuschill, Jim

1986-01-01

In its most basic sense software development involves describing the tasks to be solved, including the given objects and the operations to be performed on those objects. Unfortunately, the way people describe objects and operations usually bears little resemblance to source code in most contemporary computer languages. There are two ways around this problem. One is to allow users to describe what they want the computer to do in everyday, typically imprecise English. The PRODOC methodology and software development environment is based on a second more flexible and possibly even easier to use approach. Rather than hiding program structure, PRODOC represents such structure graphically using visual programming techniques. In addition, the program terminology used in PRODOC may be customized so as to match the way human experts in any given application area naturally describe the relevant data and operations. The PRODOC methodology is described in detail.

MRIVIEW: An interactive computational tool for investigation of brain structure and function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ranken, D.; George, J.

MRIVIEW is a software system which uses image processing and visualization to provide neuroscience researchers with an integrated environment for combining functional and anatomical information. Key features of the software include semi-automated segmentation of volumetric head data and an interactive coordinate reconciliation method which utilizes surface visualization. The current system is a precursor to a computational brain atlas. We describe features this atlas will incorporate, including methods under development for visualizing brain functional data obtained from several different research modalities.

Integrated multidisciplinary analysis tool IMAT users' guide

NASA Technical Reports Server (NTRS)

Meissner, Frances T. (Editor)

1988-01-01

The Integrated Multidisciplinary Analysis Tool (IMAT) is a computer software system developed at Langley Research Center. IMAT provides researchers and analysts with an efficient capability to analyze satellite controls systems influenced by structural dynamics. Using a menu-driven executive system, IMAT leads the user through the program options. IMAT links a relational database manager to commercial and in-house structural and controls analysis codes. This paper describes the IMAT software system and how to use it.

Generating a 2D Representation of a Complex Data Structure

NASA Technical Reports Server (NTRS)

James, Mark

2006-01-01

A computer program, designed to assist in the development and debugging of other software, generates a two-dimensional (2D) representation of a possibly complex n-dimensional (where n is an integer >2) data structure or abstract rank-n object in that other software. The nature of the 2D representation is such that it can be displayed on a non-graphical output device and distributed by non-graphical means.

Parallel computation and the Basis system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, G.R.

1992-12-16

A software package has been written that can facilitate efforts to develop powerful, flexible, and easy-to-use programs that can run in single-processor, massively parallel, and distributed computing environments. Particular attention has been given to the difficulties posed by a program consisting of many science packages that represent subsystems of a complicated, coupled system. Methods have been found to maintain independence of the packages by hiding data structures without increasing the communication costs in a parallel computing environment. Concepts developed in this work are demonstrated by a prototype program that uses library routines from two existing software systems, Basis and Parallelmore » Virtual Machine (PVM). Most of the details of these libraries have been encapsulated in routines and macros that could be rewritten for alternative libraries that possess certain minimum capabilities. The prototype software uses a flexible master-and-slaves paradigm for parallel computation and supports domain decomposition with message passing for partitioning work among slaves. Facilities are provided for accessing variables that are distributed among the memories of slaves assigned to subdomains. The software is named PROTOPAR.« less

Parallel computation and the basis system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, G.R.

1993-05-01

A software package has been written that can facilitate efforts to develop powerful, flexible, and easy-to use programs that can run in single-processor, massively parallel, and distributed computing environments. Particular attention has been given to the difficulties posed by a program consisting of many science packages that represent subsystems of a complicated, coupled system. Methods have been found to maintain independence of the packages by hiding data structures without increasing the communications costs in a parallel computing environment. Concepts developed in this work are demonstrated by a prototype program that uses library routines from two existing software systems, Basis andmore » Parallel Virtual Machine (PVM). Most of the details of these libraries have been encapsulated in routines and macros that could be rewritten for alternative libraries that possess certain minimum capabilities. The prototype software uses a flexible master-and-slaves paradigm for parallel computation and supports domain decomposition with message passing for partitioning work among slaves. Facilities are provided for accessing variables that are distributed among the memories of slaves assigned to subdomains. The software is named PROTOPAR.« less

Journal and Wave Bearing Impedance Calculation Software

NASA Technical Reports Server (NTRS)

Hanford, Amanda; Campbell, Robert

2012-01-01

The wave bearing software suite is a MALTA application that computes bearing properties for user-specified wave bearing conditions, as well as plain journal bearings. Wave bearings are fluid film journal bearings with multi-lobed wave patterns around the circumference of the bearing surface. In this software suite, the dynamic coefficients are outputted in a way for easy implementation in a finite element model used in rotor dynamics analysis. The software has a graphical user interface (GUI) for inputting bearing geometry parameters, and uses MATLAB s structure interface for ease of interpreting data. This innovation was developed to provide the stiffness and damping components of wave bearing impedances. The computational method for computing bearing coefficients was originally designed for plain journal bearings and tilting pad bearings. Modifications to include a wave bearing profile consisted of changing the film thickness profile given by an equation, and writing an algorithm to locate the integration limits for each fluid region. Careful consideration was needed to implement the correct integration limits while computing the dynamic coefficients, depending on the form of the input/output variables specified in the algorithm.

Concurrent Probabilistic Simulation of High Temperature Composite Structural Response

NASA Technical Reports Server (NTRS)

Abdi, Frank

1996-01-01

A computational structural/material analysis and design tool which would meet industry's future demand for expedience and reduced cost is presented. This unique software 'GENOA' is dedicated to parallel and high speed analysis to perform probabilistic evaluation of high temperature composite response of aerospace systems. The development is based on detailed integration and modification of diverse fields of specialized analysis techniques and mathematical models to combine their latest innovative capabilities into a commercially viable software package. The technique is specifically designed to exploit the availability of processors to perform computationally intense probabilistic analysis assessing uncertainties in structural reliability analysis and composite micromechanics. The primary objectives which were achieved in performing the development were: (1) Utilization of the power of parallel processing and static/dynamic load balancing optimization to make the complex simulation of structure, material and processing of high temperature composite affordable; (2) Computational integration and synchronization of probabilistic mathematics, structural/material mechanics and parallel computing; (3) Implementation of an innovative multi-level domain decomposition technique to identify the inherent parallelism, and increasing convergence rates through high- and low-level processor assignment; (4) Creating the framework for Portable Paralleled architecture for the machine independent Multi Instruction Multi Data, (MIMD), Single Instruction Multi Data (SIMD), hybrid and distributed workstation type of computers; and (5) Market evaluation. The results of Phase-2 effort provides a good basis for continuation and warrants Phase-3 government, and industry partnership.

Interactive computer graphics system for structural sizing and analysis of aircraft structures

NASA Technical Reports Server (NTRS)

Bendavid, D.; Pipano, A.; Raibstein, A.; Somekh, E.

1975-01-01

A computerized system for preliminary sizing and analysis of aircraft wing and fuselage structures was described. The system is based upon repeated application of analytical program modules, which are interactively interfaced and sequence-controlled during the iterative design process with the aid of design-oriented graphics software modules. The entire process is initiated and controlled via low-cost interactive graphics terminals driven by a remote computer in a time-sharing mode.

The Dimensionality and Correlates of Flow in Human-Computer Interactions.

ERIC Educational Resources Information Center

Webster, Jane; And Others

1993-01-01

Defines playfulness in human-computer interactions in terms of flow theory and explores the dimensionality of the flow concept. Two studies are reported that investigated the factor structure and correlates of flow in human-computer interactions: one examined MBA students using Lotus 1-2-3 spreadsheet software, and one examined employees using…

Near-Infrared Neuroimaging with NinPy

PubMed Central

Strangman, Gary E.; Zhang, Quan; Zeffiro, Thomas

2009-01-01

There has been substantial recent growth in the use of non-invasive optical brain imaging in studies of human brain function in health and disease. Near-infrared neuroimaging (NIN) is one of the most promising of these techniques and, although NIN hardware continues to evolve at a rapid pace, software tools supporting optical data acquisition, image processing, statistical modeling, and visualization remain less refined. Python, a modular and computationally efficient development language, can support functional neuroimaging studies of diverse design and implementation. In particular, Python's easily readable syntax and modular architecture allow swift prototyping followed by efficient transition to stable production systems. As an introduction to our ongoing efforts to develop Python software tools for structural and functional neuroimaging, we discuss: (i) the role of non-invasive diffuse optical imaging in measuring brain function, (ii) the key computational requirements to support NIN experiments, (iii) our collection of software tools to support NIN, called NinPy, and (iv) future extensions of these tools that will allow integration of optical with other structural and functional neuroimaging data sources. Source code for the software discussed here will be made available at www.nmr.mgh.harvard.edu/Neural_SystemsGroup/software.html. PMID:19543449

Summary of research in applied mathematics, numerical analysis, and computer sciences

NASA Technical Reports Server (NTRS)

1986-01-01

The major categories of current ICASE research programs addressed include: numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; control and parameter identification problems, with emphasis on effective numerical methods; computational problems in engineering and physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and computer systems and software, especially vector and parallel computers.

A Validation Framework for the Long Term Preservation of High Energy Physics Data

NASA Astrophysics Data System (ADS)

Ozerov, Dmitri; South, David M.

2014-06-01

The study group on data preservation in high energy physics, DPHEP, is moving to a new collaboration structure, which will focus on the implementation of preservation projects, such as those described in the group's large scale report published in 2012. One such project is the development of a validation framework, which checks the compatibility of evolving computing environments and technologies with the experiments software for as long as possible, with the aim of substantially extending the lifetime of the analysis software, and hence of the usability of the data. The framework is designed to automatically test and validate the software and data of an experiment against changes and upgrades to the computing environment, as well as changes to the experiment software itself. Technically, this is realised using a framework capable of hosting a number of virtual machine images, built with different configurations of operating systems and the relevant software, including any necessary external dependencies.

Algorithms and software used in selecting structure of machine-training cluster based on neurocomputers

NASA Astrophysics Data System (ADS)

Romanchuk, V. A.; Lukashenko, V. V.

2018-05-01

The technique of functioning of a control system by a computing cluster based on neurocomputers is proposed. Particular attention is paid to the method of choosing the structure of the computing cluster due to the fact that the existing methods are not effective because of a specialized hardware base - neurocomputers, which are highly parallel computer devices with an architecture different from the von Neumann architecture. A developed algorithm for choosing the computational structure of a cloud cluster is described, starting from the direction of data transfer in the flow control graph of the program and its adjacency matrix.

Preliminary In-Flight Loads Analysis of In-Line Launch Vehicles using the VLOADS 1.4 Program

NASA Technical Reports Server (NTRS)

Graham, J. B.; Luz, P. L.

1998-01-01

To calculate structural loads of in-line launch vehicles for preliminary design, a very useful computer program is VLOADS 1.4. This software may also be used to calculate structural loads for upper stages and planetary transfer vehicles. Launch vehicle inputs such as aerodynamic coefficients, mass properties, propellants, engine thrusts, and performance data are compiled and analyzed by VLOADS to produce distributed shear loads, bending moments, axial forces, and vehicle line loads as a function of X-station along the vehicle's length. Interface loads, if any, and translational accelerations are also computed. The major strength of the software is that it enables quick turnaround analysis of structural loads for launch vehicles during the preliminary design stage of its development. This represents a significant improvement over the alternative-the time-consuming, and expensive chore of developing finite element models. VLOADS was developed as a Visual BASIC macro in a Microsoft Excel 5.0 work book on a Macintosh. VLOADS has also been implemented on a PC computer using Microsoft Excel 7.0a for Windows 95. VLOADS was developed in 1996, and the current version was released to COSMIC, NASA's Software Technology Transfer Center, in 1997. The program is a copyrighted work with all copyright vested in NASA.

Geometric modeling for computer aided design

NASA Technical Reports Server (NTRS)

Schwing, James L.

1993-01-01

Over the past several years, it has been the primary goal of this grant to design and implement software to be used in the conceptual design of aerospace vehicles. The work carried out under this grant was performed jointly with members of the Vehicle Analysis Branch (VAB) of NASA LaRC, Computer Sciences Corp., and Vigyan Corp. This has resulted in the development of several packages and design studies. Primary among these are the interactive geometric modeling tool, the Solid Modeling Aerospace Research Tool (smart), and the integration and execution tools provided by the Environment for Application Software Integration and Execution (EASIE). In addition, it is the purpose of the personnel of this grant to provide consultation in the areas of structural design, algorithm development, and software development and implementation, particularly in the areas of computer aided design, geometric surface representation, and parallel algorithms.

Current capabilities for simulating the extreme distortion of thin structures subjected to severe impacts

NASA Technical Reports Server (NTRS)

Key, Samuel W.

1993-01-01

The explicit transient dynamics technology in use today for simulating the impact and subsequent transient dynamic response of a structure has its origins in the 'hydrocodes' dating back to the late 1940's. The growth in capability in explicit transient dynamics technology parallels the growth in speed and size of digital computers. Computer software for simulating the explicit transient dynamic response of a structure is characterized by algorithms that use a large number of small steps. In explicit transient dynamics software there is a significant emphasis on speed and simplicity. The finite element technology used to generate the spatial discretization of a structure is based on a compromise between completeness of the representation for the physical processes modelled and speed in execution. That is, since it is expected in every calculation that the deformation will be finite and the material will be strained beyond the elastic range, the geometry and the associated gradient operators must be reconstructed, as well as complex stress-strain models evaluated at every time step. As a result, finite elements derived for explicit transient dynamics software use the simplest and barest constructions possible for computational efficiency while retaining an essential representation of the physical behavior. The best example of this technology is the four-node bending quadrilateral derived by Belytschko, Lin and Tsay. Today, the speed, memory capacity and availability of computer hardware allows a number of the previously used algorithms to be 'improved.' That is, it is possible with today's computing hardware to modify many of the standard algorithms to improve their representation of the physical process at the expense of added complexity and computational effort. The purpose is to review a number of these algorithms and identify the improvements possible. In many instances, both the older, faster version of the algorithm and the improved and somewhat slower version of the algorithm are found implemented together in software. Specifically, the following seven algorithmic items are examined: the invariant time derivatives of stress used in material models expressed in rate form; incremental objectivity and strain used in the numerical integration of the material models; the use of one-point element integration versus mean quadrature; shell elements used to represent the behavior of thin structural components; beam elements based on stress-resultant plasticity versus cross-section integration; the fidelity of elastic-plastic material models in their representation of ductile metals; and the use of Courant subcycling to reduce computational effort.

48 CFR 227.7202-4 - Contract clause.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Software and Computer Software Documentation 227.7202-4 Contract clause. A specific contract clause governing the Government's rights in commercial computer software or commercial computer software..., release, perform, display, or disclose computer software or computer software documentation shall be...

48 CFR 227.7202-4 - Contract clause.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Software and Computer Software Documentation 227.7202-4 Contract clause. A specific contract clause governing the Government's rights in commercial computer software or commercial computer software..., release, perform, display, or disclose computer software or computer software documentation shall be...

48 CFR 227.7202-4 - Contract clause.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Software and Computer Software Documentation 227.7202-4 Contract clause. A specific contract clause governing the Government's rights in commercial computer software or commercial computer software..., release, perform, display, or disclose computer software or computer software documentation shall be...

48 CFR 227.7202-4 - Contract clause.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Software and Computer Software Documentation 227.7202-4 Contract clause. A specific contract clause governing the Government's rights in commercial computer software or commercial computer software..., release, perform, display, or disclose computer software or computer software documentation shall be...

48 CFR 227.7202-4 - Contract clause.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Software and Computer Software Documentation 227.7202-4 Contract clause. A specific contract clause governing the Government's rights in commercial computer software or commercial computer software..., release, perform, display, or disclose computer software or computer software documentation shall be...

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

DOE PAGES

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto; ...

2017-09-15

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

ELSI: A unified software interface for Kohn-Sham electronic structure solvers

NASA Astrophysics Data System (ADS)

Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; Yang, Chao; Yang, Haizhao; Blum, Volker

2018-01-01

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

Programming Language Software For Graphics Applications

NASA Technical Reports Server (NTRS)

Beckman, Brian C.

1993-01-01

New approach reduces repetitive development of features common to different applications. High-level programming language and interactive environment with access to graphical hardware and software created by adding graphical commands and other constructs to standardized, general-purpose programming language, "Scheme". Designed for use in developing other software incorporating interactive computer-graphics capabilities into application programs. Provides alternative to programming entire applications in C or FORTRAN, specifically ameliorating design and implementation of complex control and data structures typifying applications with interactive graphics. Enables experimental programming and rapid development of prototype software, and yields high-level programs serving as executable versions of software-design documentation.

Investigating the Structural Relationship for the Determinants of Cloud Computing Adoption in Education

ERIC Educational Resources Information Center

Bhatiasevi, Veera; Naglis, Michael

2016-01-01

This research is one of the first few to investigate the adoption and usage of cloud computing in higher education in the context of developing countries, in this case Thailand. It proposes extending the technology acceptance model to integrate subjective norm, perceived convenience, trust, computer self-efficacy, and software functionality in…

48 CFR 12.212 - Computer software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 1 2012-10-01 2012-10-01 false Computer software. 12.212... software. (a) Commercial computer software or commercial computer software documentation shall be acquired... required to— (1) Furnish technical information related to commercial computer software or commercial...

48 CFR 12.212 - Computer software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false Computer software. 12.212... software. (a) Commercial computer software or commercial computer software documentation shall be acquired... required to— (1) Furnish technical information related to commercial computer software or commercial...

48 CFR 12.212 - Computer software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 48 Federal Acquisition Regulations System 1 2014-10-01 2014-10-01 false Computer software. 12.212... software. (a) Commercial computer software or commercial computer software documentation shall be acquired... required to— (1) Furnish technical information related to commercial computer software or commercial...

48 CFR 12.212 - Computer software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Computer software. 12.212... software. (a) Commercial computer software or commercial computer software documentation shall be acquired... required to— (1) Furnish technical information related to commercial computer software or commercial...

48 CFR 12.212 - Computer software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 48 Federal Acquisition Regulations System 1 2013-10-01 2013-10-01 false Computer software. 12.212... software. (a) Commercial computer software or commercial computer software documentation shall be acquired... required to— (1) Furnish technical information related to commercial computer software or commercial...

RNA folding kinetics using Monte Carlo and Gillespie algorithms.

PubMed

Clote, Peter; Bayegan, Amir H

2018-04-01

RNA secondary structure folding kinetics is known to be important for the biological function of certain processes, such as the hok/sok system in E. coli. Although linear algebra provides an exact computational solution of secondary structure folding kinetics with respect to the Turner energy model for tiny ([Formula: see text]20 nt) RNA sequences, the folding kinetics for larger sequences can only be approximated by binning structures into macrostates in a coarse-grained model, or by repeatedly simulating secondary structure folding with either the Monte Carlo algorithm or the Gillespie algorithm. Here we investigate the relation between the Monte Carlo algorithm and the Gillespie algorithm. We prove that asymptotically, the expected time for a K-step trajectory of the Monte Carlo algorithm is equal to [Formula: see text] times that of the Gillespie algorithm, where [Formula: see text] denotes the Boltzmann expected network degree. If the network is regular (i.e. every node has the same degree), then the mean first passage time (MFPT) computed by the Monte Carlo algorithm is equal to MFPT computed by the Gillespie algorithm multiplied by [Formula: see text]; however, this is not true for non-regular networks. In particular, RNA secondary structure folding kinetics, as computed by the Monte Carlo algorithm, is not equal to the folding kinetics, as computed by the Gillespie algorithm, although the mean first passage times are roughly correlated. Simulation software for RNA secondary structure folding according to the Monte Carlo and Gillespie algorithms is publicly available, as is our software to compute the expected degree of the network of secondary structures of a given RNA sequence-see http://bioinformatics.bc.edu/clote/RNAexpNumNbors .

French Plans for Fifth Generation Computer Systems.

DTIC Science & Technology

1984-12-07

centrally man- French industry In electronics, compu- aged project in France that covers all ters, software, and services and to make the facets of the...Centre National of Japan’s Fifth Generation Project , the de Recherche Scientifique (CNRS) Cooper- French scientific and industrial com- ative Research...systems, man-computer The National Projects interaction, novel computer structures, The French Ministry of Research and knowledge-based computer systems

Facilitating higher-fidelity simulations of axial compressor instability and other turbomachinery flow conditions

NASA Astrophysics Data System (ADS)

Herrick, Gregory Paul

The quest to accurately capture flow phenomena with length-scales both short and long and to accurately represent complex flow phenomena within disparately sized geometry inspires a need for an efficient, high-fidelity, multi-block structured computational fluid dynamics (CFD) parallel computational scheme. This research presents and demonstrates a more efficient computational method by which to perform multi-block structured CFD parallel computational simulations, thus facilitating higher-fidelity solutions of complicated geometries (due to the inclusion of grids for "small'' flow areas which are often merely modeled) and their associated flows. This computational framework offers greater flexibility and user-control in allocating the resource balance between process count and wall-clock computation time. The principal modifications implemented in this revision consist of a "multiple grid block per processing core'' software infrastructure and an analytic computation of viscous flux Jacobians. The development of this scheme is largely motivated by the desire to simulate axial compressor stall inception with more complete gridding of the flow passages (including rotor tip clearance regions) than has been previously done while maintaining high computational efficiency (i.e., minimal consumption of computational resources), and thus this paradigm shall be demonstrated with an examination of instability in a transonic axial compressor. However, the paradigm presented herein facilitates CFD simulation of myriad previously impractical geometries and flows and is not limited to detailed analyses of axial compressor flows. While the simulations presented herein were technically possible under the previous structure of the subject software, they were much less computationally efficient and thus not pragmatically feasible; the previous research using this software to perform three-dimensional, full-annulus, time-accurate, unsteady, full-stage (with sliding-interface) simulations of rotating stall inception in axial compressors utilized tip clearance periodic models, while the scheme here is demonstrated by a simulation of axial compressor stall inception utilizing gridded rotor tip clearance regions. As will be discussed, much previous research---experimental, theoretical, and computational---has suggested that understanding clearance flow behavior is critical to understanding stall inception, and previous computational research efforts which have used tip clearance models have begged the question, "What about the clearance flows?''. This research begins to address that question.

Probabilistic Fatigue Damage Program (FATIG)

NASA Technical Reports Server (NTRS)

Michalopoulos, Constantine

2012-01-01

FATIG computes fatigue damage/fatigue life using the stress rms (root mean square) value, the total number of cycles, and S-N curve parameters. The damage is computed by the following methods: (a) traditional method using Miner s rule with stress cycles determined from a Rayleigh distribution up to 3*sigma; and (b) classical fatigue damage formula involving the Gamma function, which is derived from the integral version of Miner's rule. The integration is carried out over all stress amplitudes. This software solves the problem of probabilistic fatigue damage using the integral form of the Palmgren-Miner rule. The software computes fatigue life using an approach involving all stress amplitudes, up to N*sigma, as specified by the user. It can be used in the design of structural components subjected to random dynamic loading, or by any stress analyst with minimal training for fatigue life estimates of structural components.

Theoretical and software considerations for general dynamic analysis using multilevel substructured models

NASA Technical Reports Server (NTRS)

Schmidt, R. J.; Dodds, R. H., Jr.

1985-01-01

The dynamic analysis of complex structural systems using the finite element method and multilevel substructured models is presented. The fixed-interface method is selected for substructure reduction because of its efficiency, accuracy, and adaptability to restart and reanalysis. This method is extended to reduction of substructures which are themselves composed of reduced substructures. The implementation and performance of the method in a general purpose software system is emphasized. Solution algorithms consistent with the chosen data structures are presented. It is demonstrated that successful finite element software requires the use of software executives to supplement the algorithmic language. The complexity of the implementation of restart and reanalysis porcedures illustrates the need for executive systems to support the noncomputational aspects of the software. It is shown that significant computational efficiencies can be achieved through proper use of substructuring and reduction technbiques without sacrificing solution accuracy. The restart and reanalysis capabilities and the flexible procedures for multilevel substructured modeling gives economical yet accurate analyses of complex structural systems.

ParallelStructure: A R Package to Distribute Parallel Runs of the Population Genetics Program STRUCTURE on Multi-Core Computers

PubMed Central

Besnier, Francois; Glover, Kevin A.

2013-01-01

This software package provides an R-based framework to make use of multi-core computers when running analyses in the population genetics program STRUCTURE. It is especially addressed to those users of STRUCTURE dealing with numerous and repeated data analyses, and who could take advantage of an efficient script to automatically distribute STRUCTURE jobs among multiple processors. It also consists of additional functions to divide analyses among combinations of populations within a single data set without the need to manually produce multiple projects, as it is currently the case in STRUCTURE. The package consists of two main functions: MPI_structure() and parallel_structure() as well as an example data file. We compared the performance in computing time for this example data on two computer architectures and showed that the use of the present functions can result in several-fold improvements in terms of computation time. ParallelStructure is freely available at https://r-forge.r-project.org/projects/parallstructure/. PMID:23923012

System software for the finite element machine

NASA Technical Reports Server (NTRS)

Crockett, T. W.; Knott, J. D.

1985-01-01

The Finite Element Machine is an experimental parallel computer developed at Langley Research Center to investigate the application of concurrent processing to structural engineering analysis. This report describes system-level software which has been developed to facilitate use of the machine by applications researchers. The overall software design is outlined, and several important parallel processing issues are discussed in detail, including processor management, communication, synchronization, and input/output. Based on experience using the system, the hardware architecture and software design are critiqued, and areas for further work are suggested.

Analysis, preliminary design and simulation systems for control-structure interaction problems

NASA Technical Reports Server (NTRS)

Park, K. C.; Alvin, Kenneth F.

1991-01-01

Software aspects of control-structure interaction (CSI) analysis are discussed. The following subject areas are covered: (1) implementation of a partitioned algorithm for simulation of large CSI problems; (2) second-order discrete Kalman filtering equations for CSI simulations; and (3) parallel computations and control of adaptive structures.

Applied Computational Chemistry for the Blind and Visually Impaired

ERIC Educational Resources Information Center

Wedler, Henry B.; Cohen, Sarah R.; Davis, Rebecca L.; Harrison, Jason G.; Siebert, Matthew R.; Willenbring, Dan; Hamann, Christian S.; Shaw, Jared T.; Tantillo, Dean J.

2012-01-01

We describe accommodations that we have made to our applied computational-theoretical chemistry laboratory to provide access for blind and visually impaired students interested in independent investigation of structure-function relationships. Our approach utilizes tactile drawings, molecular model kits, existing software, Bash and Perl scripts…

From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language.

PubMed

de Jong, Wibe A; Walker, Andrew M; Hanwell, Marcus D

2013-05-24

Multidisciplinary integrated research requires the ability to couple the diverse sets of data obtained from a range of complex experiments and computer simulations. Integrating data requires semantically rich information. In this paper an end-to-end use of semantically rich data in computational chemistry is demonstrated utilizing the Chemical Markup Language (CML) framework. Semantically rich data is generated by the NWChem computational chemistry software with the FoX library and utilized by the Avogadro molecular editor for analysis and visualization. The NWChem computational chemistry software has been modified and coupled to the FoX library to write CML compliant XML data files. The FoX library was expanded to represent the lexical input files and molecular orbitals used by the computational chemistry software. Draft dictionary entries and a format for molecular orbitals within CML CompChem were developed. The Avogadro application was extended to read in CML data, and display molecular geometry and electronic structure in the GUI allowing for an end-to-end solution where Avogadro can create input structures, generate input files, NWChem can run the calculation and Avogadro can then read in and analyse the CML output produced. The developments outlined in this paper will be made available in future releases of NWChem, FoX, and Avogadro. The production of CML compliant XML files for computational chemistry software such as NWChem can be accomplished relatively easily using the FoX library. The CML data can be read in by a newly developed reader in Avogadro and analysed or visualized in various ways. A community-based effort is needed to further develop the CML CompChem convention and dictionary. This will enable the long-term goal of allowing a researcher to run simple "Google-style" searches of chemistry and physics and have the results of computational calculations returned in a comprehensible form alongside articles from the published literature.

From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language

PubMed Central

2013-01-01

Background Multidisciplinary integrated research requires the ability to couple the diverse sets of data obtained from a range of complex experiments and computer simulations. Integrating data requires semantically rich information. In this paper an end-to-end use of semantically rich data in computational chemistry is demonstrated utilizing the Chemical Markup Language (CML) framework. Semantically rich data is generated by the NWChem computational chemistry software with the FoX library and utilized by the Avogadro molecular editor for analysis and visualization. Results The NWChem computational chemistry software has been modified and coupled to the FoX library to write CML compliant XML data files. The FoX library was expanded to represent the lexical input files and molecular orbitals used by the computational chemistry software. Draft dictionary entries and a format for molecular orbitals within CML CompChem were developed. The Avogadro application was extended to read in CML data, and display molecular geometry and electronic structure in the GUI allowing for an end-to-end solution where Avogadro can create input structures, generate input files, NWChem can run the calculation and Avogadro can then read in and analyse the CML output produced. The developments outlined in this paper will be made available in future releases of NWChem, FoX, and Avogadro. Conclusions The production of CML compliant XML files for computational chemistry software such as NWChem can be accomplished relatively easily using the FoX library. The CML data can be read in by a newly developed reader in Avogadro and analysed or visualized in various ways. A community-based effort is needed to further develop the CML CompChem convention and dictionary. This will enable the long-term goal of allowing a researcher to run simple “Google-style” searches of chemistry and physics and have the results of computational calculations returned in a comprehensible form alongside articles from the published literature. PMID:23705910

Field-Programmable Gate Array Computer in Structural Analysis: An Initial Exploration

NASA Technical Reports Server (NTRS)

Singleterry, Robert C., Jr.; Sobieszczanski-Sobieski, Jaroslaw; Brown, Samuel

2002-01-01

This paper reports on an initial assessment of using a Field-Programmable Gate Array (FPGA) computational device as a new tool for solving structural mechanics problems. A FPGA is an assemblage of binary gates arranged in logical blocks that are interconnected via software in a manner dependent on the algorithm being implemented and can be reprogrammed thousands of times per second. In effect, this creates a computer specialized for the problem that automatically exploits all the potential for parallel computing intrinsic in an algorithm. This inherent parallelism is the most important feature of the FPGA computational environment. It is therefore important that if a problem offers a choice of different solution algorithms, an algorithm of a higher degree of inherent parallelism should be selected. It is found that in structural analysis, an 'analog computer' style of programming, which solves problems by direct simulation of the terms in the governing differential equations, yields a more favorable solution algorithm than current solution methods. This style of programming is facilitated by a 'drag-and-drop' graphic programming language that is supplied with the particular type of FPGA computer reported in this paper. Simple examples in structural dynamics and statics illustrate the solution approach used. The FPGA system also allows linear scalability in computing capability. As the problem grows, the number of FPGA chips can be increased with no loss of computing efficiency due to data flow or algorithmic latency that occurs when a single problem is distributed among many conventional processors that operate in parallel. This initial assessment finds the FPGA hardware and software to be in their infancy in regard to the user conveniences; however, they have enormous potential for shrinking the elapsed time of structural analysis solutions if programmed with algorithms that exhibit inherent parallelism and linear scalability. This potential warrants further development of FPGA-tailored algorithms for structural analysis.

Design Aids for Real-Time Systems (DARTS)

NASA Technical Reports Server (NTRS)

Szulewski, P. A.

1982-01-01

Design-Aids for Real-Time Systems (DARTS) is a tool that assists in defining embedded computer systems through tree structured graphics, military standard documentation support, and various analyses including automated Software Science parameter counting and metrics calculation. These analyses provide both static and dynamic design quality feedback which can potentially aid in producing efficient, high quality software systems.

Automation of checkout for the shuttle operations era

NASA Technical Reports Server (NTRS)

Anderson, J. A.; Hendrickson, K. O.

1985-01-01

The Space Shuttle checkout is different from its Apollo predecessor. The complexity of the hardware, the shortened turnaround time, and the software that performs ground checkout are outlined. Generating new techniques and standards for software development and the management structure to control it are implemented. The utilization of computer systems for vehicle testing is high lighted.

Making Visible the Coding Process: Using Qualitative Data Software in a Post-Structural Study

ERIC Educational Resources Information Center

Ryan, Mary

2009-01-01

Qualitative research methods require transparency to ensure the "trustworthiness" of the data analysis. The intricate processes of organising, coding and analysing the data are often rendered invisible in the presentation of the research findings, which requires a "leap of faith" for the reader. Computer assisted data analysis software can be used…

Computer Forensics Education - the Open Source Approach

NASA Astrophysics Data System (ADS)

Huebner, Ewa; Bem, Derek; Cheung, Hon

In this chapter we discuss the application of the open source software tools in computer forensics education at tertiary level. We argue that open source tools are more suitable than commercial tools, as they provide the opportunity for students to gain in-depth understanding and appreciation of the computer forensic process as opposed to familiarity with one software product, however complex and multi-functional. With the access to all source programs the students become more than just the consumers of the tools as future forensic investigators. They can also examine the code, understand the relationship between the binary images and relevant data structures, and in the process gain necessary background to become the future creators of new and improved forensic software tools. As a case study we present an advanced subject, Computer Forensics Workshop, which we designed for the Bachelor's degree in computer science at the University of Western Sydney. We based all laboratory work and the main take-home project in this subject on open source software tools. We found that without exception more than one suitable tool can be found to cover each topic in the curriculum adequately. We argue that this approach prepares students better for forensic field work, as they gain confidence to use a variety of tools, not just a single product they are familiar with.

Software package for modeling spin-orbit motion in storage rings

NASA Astrophysics Data System (ADS)

Zyuzin, D. V.

2015-12-01

A software package providing a graphical user interface for computer experiments on the motion of charged particle beams in accelerators, as well as analysis of obtained data, is presented. The software package was tested in the framework of the international project on electric dipole moment measurement JEDI (Jülich Electric Dipole moment Investigations). The specific features of particle spin motion imply the requirement to use a cyclic accelerator (storage ring) consisting of electrostatic elements, which makes it possible to preserve horizontal polarization for a long time. Computer experiments study the dynamics of 106-109 particles in a beam during 109 turns in an accelerator (about 1012-1015 integration steps for the equations of motion). For designing an optimal accelerator structure, a large number of computer experiments on polarized beam dynamics are required. The numerical core of the package is COSY Infinity, a program for modeling spin-orbit dynamics.

Topics on data transmission problem in software definition network

NASA Astrophysics Data System (ADS)

Gao, Wei; Liang, Li; Xu, Tianwei; Gan, Jianhou

2017-08-01

In normal computer networks, the data transmission between two sites go through the shortest path between two corresponding vertices. However, in the setting of software definition network (SDN), it should monitor the network traffic flow in each site and channel timely, and the data transmission path between two sites in SDN should consider the congestion in current networks. Hence, the difference of available data transmission theory between normal computer network and software definition network is that we should consider the prohibit graph structures in SDN, and these forbidden subgraphs represent the sites and channels in which data can't be passed by the serious congestion. Inspired by theoretical analysis of an available data transmission in SDN, we consider some computational problems from the perspective of the graph theory. Several results determined in the paper imply the sufficient conditions of data transmission in SDN in the various graph settings.

Framework for architecture-independent run-time reconfigurable applications

NASA Astrophysics Data System (ADS)

Lehn, David I.; Hudson, Rhett D.; Athanas, Peter M.

2000-10-01

Configurable Computing Machines (CCMs) have emerged as a technology with the computational benefits of custom ASICs as well as the flexibility and reconfigurability of general-purpose microprocessors. Significant effort from the research community has focused on techniques to move this reconfigurability from a rapid application development tool to a run-time tool. This requires the ability to change the hardware design while the application is executing and is known as Run-Time Reconfiguration (RTR). Widespread acceptance of run-time reconfigurable custom computing depends upon the existence of high-level automated design tools. Such tools must reduce the designers effort to port applications between different platforms as the architecture, hardware, and software evolves. A Java implementation of a high-level application framework, called Janus, is presented here. In this environment, developers create Java classes that describe the structural behavior of an application. The framework allows hardware and software modules to be freely mixed and interchanged. A compilation phase of the development process analyzes the structure of the application and adapts it to the target platform. Janus is capable of structuring the run-time behavior of an application to take advantage of the memory and computational resources available.

RNA Thermodynamic Structural Entropy

PubMed Central

Garcia-Martin, Juan Antonio; Clote, Peter

2015-01-01

Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner’99 and Turner’04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http://bioinformatics.bc.edu/clotelab/RNAentropy, including source code and ancillary programs. PMID:26555444

RNA Thermodynamic Structural Entropy.

PubMed

Garcia-Martin, Juan Antonio; Clote, Peter

2015-01-01

Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http://bioinformatics.bc.edu/clotelab/RNAentropy, including source code and ancillary programs.

Teaching Bioinformatics in Concert

PubMed Central

Goodman, Anya L.; Dekhtyar, Alex

2014-01-01

Can biology students without programming skills solve problems that require computational solutions? They can if they learn to cooperate effectively with computer science students. The goal of the in-concert teaching approach is to introduce biology students to computational thinking by engaging them in collaborative projects structured around the software development process. Our approach emphasizes development of interdisciplinary communication and collaboration skills for both life science and computer science students. PMID:25411792

Research and Design of Rootkit Detection Method

NASA Astrophysics Data System (ADS)

Liu, Leian; Yin, Zuanxing; Shen, Yuli; Lin, Haitao; Wang, Hongjiang

Rootkit is one of the most important issues of network communication systems, which is related to the security and privacy of Internet users. Because of the existence of the back door of the operating system, a hacker can use rootkit to attack and invade other people's computers and thus he can capture passwords and message traffic to and from these computers easily. With the development of the rootkit technology, its applications are more and more extensive and it becomes increasingly difficult to detect it. In addition, for various reasons such as trade secrets, being difficult to be developed, and so on, the rootkit detection technology information and effective tools are still relatively scarce. In this paper, based on the in-depth analysis of the rootkit detection technology, a new kind of the rootkit detection structure is designed and a new method (software), X-Anti, is proposed. Test results show that software designed based on structure proposed is much more efficient than any other rootkit detection software.

Symbol Tables and Branch Tables: Linking Applications Together

NASA Technical Reports Server (NTRS)

Handler, Louis M.

2011-01-01

This document explores the computer techniques used to execute software whose parts are compiled and linked separately. The computer techniques include using a branch table or indirect address table to connect the parts. Methods of storing the information in data structures are discussed as well as differences between C and C++.

Multidisciplinary High-Fidelity Analysis and Optimization of Aerospace Vehicles. Part 1; Formulation

NASA Technical Reports Server (NTRS)

Walsh, J. L.; Townsend, J. C.; Salas, A. O.; Samareh, J. A.; Mukhopadhyay, V.; Barthelemy, J.-F.

2000-01-01

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity, finite element structural analysis and computational fluid dynamics aerodynamic analysis in a distributed, heterogeneous computing environment that includes high performance parallel computing. A software system has been designed and implemented to integrate a set of existing discipline analysis codes, some of them computationally intensive, into a distributed computational environment for the design of a highspeed civil transport configuration. The paper describes the engineering aspects of formulating the optimization by integrating these analysis codes and associated interface codes into the system. The discipline codes are integrated by using the Java programming language and a Common Object Request Broker Architecture (CORBA) compliant software product. A companion paper presents currently available results.

Multidisciplinary High-Fidelity Analysis and Optimization of Aerospace Vehicles. Part 2; Preliminary Results

NASA Technical Reports Server (NTRS)

Walsh, J. L.; Weston, R. P.; Samareh, J. A.; Mason, B. H.; Green, L. L.; Biedron, R. T.

2000-01-01

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity finite-element structural analysis and computational fluid dynamics aerodynamic analysis in a distributed, heterogeneous computing environment that includes high performance parallel computing. A software system has been designed and implemented to integrate a set of existing discipline analysis codes, some of them computationally intensive, into a distributed computational environment for the design of a high-speed civil transport configuration. The paper describes both the preliminary results from implementing and validating the multidisciplinary analysis and the results from an aerodynamic optimization. The discipline codes are integrated by using the Java programming language and a Common Object Request Broker Architecture compliant software product. A companion paper describes the formulation of the multidisciplinary analysis and optimization system.

Wildlife software: procedures for publication of computer software

USGS Publications Warehouse

Samuel, M.D.

1990-01-01

Computers and computer software have become an integral part of the practice of wildlife science. Computers now play an important role in teaching, research, and management applications. Because of the specialized nature of wildlife problems, specific computer software is usually required to address a given problem (e.g., home range analysis). This type of software is not usually available from commercial vendors and therefore must be developed by those wildlife professionals with particular skill in computer programming. Current journal publication practices generally prevent a detailed description of computer software associated with new techniques. In addition, peer review of journal articles does not usually include a review of associated computer software. Thus, many wildlife professionals are usually unaware of computer software that would meet their needs or of major improvements in software they commonly use. Indeed most users of wildlife software learn of new programs or important changes only by word of mouth.

QuBiLS-MIDAS: a parallel free-software for molecular descriptors computation based on multilinear algebraic maps.

PubMed

García-Jacas, César R; Marrero-Ponce, Yovani; Acevedo-Martínez, Liesner; Barigye, Stephen J; Valdés-Martiní, José R; Contreras-Torres, Ernesto

2014-07-05

The present report introduces the QuBiLS-MIDAS software belonging to the ToMoCoMD-CARDD suite for the calculation of three-dimensional molecular descriptors (MDs) based on the two-linear (bilinear), three-linear, and four-linear (multilinear or N-linear) algebraic forms. Thus, it is unique software that computes these tensor-based indices. These descriptors, establish relations for two, three, and four atoms by using several (dis-)similarity metrics or multimetrics, matrix transformations, cutoffs, local calculations and aggregation operators. The theoretical background of these N-linear indices is also presented. The QuBiLS-MIDAS software was developed in the Java programming language and employs the Chemical Development Kit library for the manipulation of the chemical structures and the calculation of the atomic properties. This software is composed by a desktop user-friendly interface and an Abstract Programming Interface library. The former was created to simplify the configuration of the different options of the MDs, whereas the library was designed to allow its easy integration to other software for chemoinformatics applications. This program provides functionalities for data cleaning tasks and for batch processing of the molecular indices. In addition, it offers parallel calculation of the MDs through the use of all available processors in current computers. The studies of complexity of the main algorithms demonstrate that these were efficiently implemented with respect to their trivial implementation. Lastly, the performance tests reveal that this software has a suitable behavior when the amount of processors is increased. Therefore, the QuBiLS-MIDAS software constitutes a useful application for the computation of the molecular indices based on N-linear algebraic maps and it can be used freely to perform chemoinformatics studies. Copyright © 2014 Wiley Periodicals, Inc.

Development of seismic tomography software for hybrid supercomputers

NASA Astrophysics Data System (ADS)

Nikitin, Alexandr; Serdyukov, Alexandr; Duchkov, Anton

2015-04-01

Seismic tomography is a technique used for computing velocity model of geologic structure from first arrival travel times of seismic waves. The technique is used in processing of regional and global seismic data, in seismic exploration for prospecting and exploration of mineral and hydrocarbon deposits, and in seismic engineering for monitoring the condition of engineering structures and the surrounding host medium. As a consequence of development of seismic monitoring systems and increasing volume of seismic data, there is a growing need for new, more effective computational algorithms for use in seismic tomography applications with improved performance, accuracy and resolution. To achieve this goal, it is necessary to use modern high performance computing systems, such as supercomputers with hybrid architecture that use not only CPUs, but also accelerators and co-processors for computation. The goal of this research is the development of parallel seismic tomography algorithms and software package for such systems, to be used in processing of large volumes of seismic data (hundreds of gigabytes and more). These algorithms and software package will be optimized for the most common computing devices used in modern hybrid supercomputers, such as Intel Xeon CPUs, NVIDIA Tesla accelerators and Intel Xeon Phi co-processors. In this work, the following general scheme of seismic tomography is utilized. Using the eikonal equation solver, arrival times of seismic waves are computed based on assumed velocity model of geologic structure being analyzed. In order to solve the linearized inverse problem, tomographic matrix is computed that connects model adjustments with travel time residuals, and the resulting system of linear equations is regularized and solved to adjust the model. The effectiveness of parallel implementations of existing algorithms on target architectures is considered. During the first stage of this work, algorithms were developed for execution on supercomputers using multicore CPUs only, with preliminary performance tests showing good parallel efficiency on large numerical grids. Porting of the algorithms to hybrid supercomputers is currently ongoing.

Research in applied mathematics, numerical analysis, and computer science

NASA Technical Reports Server (NTRS)

1984-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering (ICASE) in applied mathematics, numerical analysis, and computer science is summarized and abstracts of published reports are presented. The major categories of the ICASE research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software, especially vector and parallel computers.

48 CFR 227.7203-17 - Overseas contracts with foreign sources.

Code of Federal Regulations, 2013 CFR

2013-10-01

... COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-17 Overseas contracts with foreign sources. (a) The clause at 252.227-7032, Rights in Technical Data and Computer Software... Noncommercial Computer Software and Noncommercial Computer Software Documentation, when the Government requires...

48 CFR 227.7203-17 - Overseas contracts with foreign sources.

Code of Federal Regulations, 2010 CFR

2010-10-01

... COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-17 Overseas contracts with foreign sources. (a) The clause at 252.227-7032, Rights in Technical Data and Computer Software... Noncommercial Computer Software and Noncommercial Computer Software Documentation, when the Government requires...

48 CFR 227.7203-17 - Overseas contracts with foreign sources.

Code of Federal Regulations, 2014 CFR

2014-10-01

... COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-17 Overseas contracts with foreign sources. (a) The clause at 252.227-7032, Rights in Technical Data and Computer Software... Noncommercial Computer Software and Noncommercial Computer Software Documentation, when the Government requires...

48 CFR 227.7203-17 - Overseas contracts with foreign sources.

Code of Federal Regulations, 2011 CFR

2011-10-01

... COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-17 Overseas contracts with foreign sources. (a) The clause at 252.227-7032, Rights in Technical Data and Computer Software... Noncommercial Computer Software and Noncommercial Computer Software Documentation, when the Government requires...

48 CFR 227.7203-17 - Overseas contracts with foreign sources.

Code of Federal Regulations, 2012 CFR

2012-10-01

... COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-17 Overseas contracts with foreign sources. (a) The clause at 252.227-7032, Rights in Technical Data and Computer Software... Noncommercial Computer Software and Noncommercial Computer Software Documentation, when the Government requires...

Self-assembled software and method of overriding software execution

DOEpatents

Bouchard, Ann M.; Osbourn, Gordon C.

2013-01-08

A computer-implemented software self-assembled system and method for providing an external override and monitoring capability to dynamically self-assembling software containing machines that self-assemble execution sequences and data structures. The method provides an external override machine that can be introduced into a system of self-assembling machines while the machines are executing such that the functionality of the executing software can be changed or paused without stopping the code execution and modifying the existing code. Additionally, a monitoring machine can be introduced without stopping code execution that can monitor specified code execution functions by designated machines and communicate the status to an output device.

Kentucky geotechnical database.

DOT National Transportation Integrated Search

2005-03-01

Development of a comprehensive dynamic, geotechnical database is described. Computer software selected to program the client/server application in windows environment, components and structure of the geotechnical database, and primary factors cons...

Computer aided drug design

NASA Astrophysics Data System (ADS)

Jain, A.

2017-08-01

Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect.

Program design by a multidisciplinary team. [for structural finite element analysis on STAR-100 computer

NASA Technical Reports Server (NTRS)

Voigt, S.

1975-01-01

The use of software engineering aids in the design of a structural finite-element analysis computer program for the STAR-100 computer is described. Nested functional diagrams to aid in communication among design team members were used, and a standardized specification format to describe modules designed by various members was adopted. This is a report of current work in which use of the functional diagrams provided continuity and helped resolve some of the problems arising in this long-running part-time project.

OpenMx: An Open Source Extended Structural Equation Modeling Framework

ERIC Educational Resources Information Center

Boker, Steven; Neale, Michael; Maes, Hermine; Wilde, Michael; Spiegel, Michael; Brick, Timothy; Spies, Jeffrey; Estabrook, Ryne; Kenny, Sarah; Bates, Timothy; Mehta, Paras; Fox, John

2011-01-01

OpenMx is free, full-featured, open source, structural equation modeling (SEM) software. OpenMx runs within the "R" statistical programming environment on Windows, Mac OS-X, and Linux computers. The rationale for developing OpenMx is discussed along with the philosophy behind the user interface. The OpenMx data structures are…

Secure software practices among Malaysian software practitioners: An exploratory study

NASA Astrophysics Data System (ADS)

Mohamed, Shafinah Farvin Packeer; Baharom, Fauziah; Deraman, Aziz; Yahya, Jamaiah; Mohd, Haslina

2016-08-01

Secure software practices is increasingly gaining much importance among software practitioners and researchers due to the rise of computer crimes in the software industry. It has become as one of the determinant factors for producing high quality software. Even though its importance has been revealed, its current practice in the software industry is still scarce, particularly in Malaysia. Thus, an exploratory study is conducted among software practitioners in Malaysia to study their experiences and practices in the real-world projects. This paper discusses the findings from the study, which involved 93 software practitioners. Structured questionnaire is utilized for data collection purpose whilst statistical methods such as frequency, mean, and cross tabulation are used for data analysis. Outcomes from this study reveal that software practitioners are becoming increasingly aware on the importance of secure software practices, however, they lack of appropriate implementation, which could affect the quality of produced software.

The Ettention software package.

PubMed

Dahmen, Tim; Marsalek, Lukas; Marniok, Nico; Turoňová, Beata; Bogachev, Sviatoslav; Trampert, Patrick; Nickels, Stefan; Slusallek, Philipp

2016-02-01

We present a novel software package for the problem "reconstruction from projections" in electron microscopy. The Ettention framework consists of a set of modular building-blocks for tomographic reconstruction algorithms. The well-known block iterative reconstruction method based on Kaczmarz algorithm is implemented using these building-blocks, including adaptations specific to electron tomography. Ettention simultaneously features (1) a modular, object-oriented software design, (2) optimized access to high-performance computing (HPC) platforms such as graphic processing units (GPU) or many-core architectures like Xeon Phi, and (3) accessibility to microscopy end-users via integration in the IMOD package and eTomo user interface. We also provide developers with a clean and well-structured application programming interface (API) that allows for extending the software easily and thus makes it an ideal platform for algorithmic research while hiding most of the technical details of high-performance computing. Copyright © 2015 Elsevier B.V. All rights reserved.

A strategy for reducing turnaround time in design optimization using a distributed computer system

NASA Technical Reports Server (NTRS)

Young, Katherine C.; Padula, Sharon L.; Rogers, James L.

1988-01-01

There is a need to explore methods for reducing lengthly computer turnaround or clock time associated with engineering design problems. Different strategies can be employed to reduce this turnaround time. One strategy is to run validated analysis software on a network of existing smaller computers so that portions of the computation can be done in parallel. This paper focuses on the implementation of this method using two types of problems. The first type is a traditional structural design optimization problem, which is characterized by a simple data flow and a complicated analysis. The second type of problem uses an existing computer program designed to study multilevel optimization techniques. This problem is characterized by complicated data flow and a simple analysis. The paper shows that distributed computing can be a viable means for reducing computational turnaround time for engineering design problems that lend themselves to decomposition. Parallel computing can be accomplished with a minimal cost in terms of hardware and software.

Usage of "Powergraph" software at laboratory lessons of "general physics" department of MEPhI

NASA Astrophysics Data System (ADS)

Klyachin, N. A.; Matronchik, A. Yu.; Khangulyan, E. V.

2017-01-01

One considers usage of "PowerGraph" software in laboratory exercise "Study of sodium spectrum" of physical experiment lessons. Togethe with the design of experiment setup, one discusses the sodium spectra digitized with computer audio chip. Usage of "PowerGraph" software in laboratory experiment "Study of sodium spectrum" allows an efficient visualization of the sodium spectrum and analysis of its fine structure. In particular, it allows quantitative measurements of the wavelengths and line relative intensities.

Proceedings of the Annual Ada Software Engineering Education and Training Symposium (6th), Held in Alexandria, Virginia on September 11-13, 1991

DTIC Science & Technology

1991-09-01

level are, by necessity, designed to be accomplished by one or a few students in the course of a single academic term. Moreover, the software is seldom...that are covered in Computer Science curricula today, but with more of an engineering structure added. A stronger engineering design component is...ing, and sound software design principles found throughout Ada, and they are unambiguously specified. These are not features which were grafted onto a

CrossTalk: The Journal of Defense Software Engineering. Volume 18, Number 2

DTIC Science & Technology

2005-02-01

Richard J. Adams , Sergio Alvarado, Suellen Eslinger, and Joanne Tagami all with The Aerospace Corporation, and Scott A. Whitmire at ODS Software...Kiczales, G., and M. Kersten . “Show Me the Structure.” Software Develop- ment Apr. 2000. Notes 1. Please note that the M1-M11 number- ing of concepts did...VA: Integrated Computer Engineering, Inc., 2 Aug. 2000 (http://www.spmn.com). 3 Adams , Richard J., Suellen Eslinger, Karen L. Owens, and Mary A. Rich

Fragment-Based Docking: Development of the CHARMMing Web User Interface as a Platform for Computer-Aided Drug Design

PubMed Central

2015-01-01

Web-based user interfaces to scientific applications are important tools that allow researchers to utilize a broad range of software packages with just an Internet connection and a browser.1 One such interface, CHARMMing (CHARMM interface and graphics), facilitates access to the powerful and widely used molecular software package CHARMM. CHARMMing incorporates tasks such as molecular structure analysis, dynamics, multiscale modeling, and other techniques commonly used by computational life scientists. We have extended CHARMMing’s capabilities to include a fragment-based docking protocol that allows users to perform molecular docking and virtual screening calculations either directly via the CHARMMing Web server or on computing resources using the self-contained job scripts generated via the Web interface. The docking protocol was evaluated by performing a series of “re-dockings” with direct comparison to top commercial docking software. Results of this evaluation showed that CHARMMing’s docking implementation is comparable to many widely used software packages and validates the use of the new CHARMM generalized force field for docking and virtual screening. PMID:25151852

Fragment-based docking: development of the CHARMMing Web user interface as a platform for computer-aided drug design.

PubMed

Pevzner, Yuri; Frugier, Emilie; Schalk, Vinushka; Caflisch, Amedeo; Woodcock, H Lee

2014-09-22

Web-based user interfaces to scientific applications are important tools that allow researchers to utilize a broad range of software packages with just an Internet connection and a browser. One such interface, CHARMMing (CHARMM interface and graphics), facilitates access to the powerful and widely used molecular software package CHARMM. CHARMMing incorporates tasks such as molecular structure analysis, dynamics, multiscale modeling, and other techniques commonly used by computational life scientists. We have extended CHARMMing's capabilities to include a fragment-based docking protocol that allows users to perform molecular docking and virtual screening calculations either directly via the CHARMMing Web server or on computing resources using the self-contained job scripts generated via the Web interface. The docking protocol was evaluated by performing a series of "re-dockings" with direct comparison to top commercial docking software. Results of this evaluation showed that CHARMMing's docking implementation is comparable to many widely used software packages and validates the use of the new CHARMM generalized force field for docking and virtual screening.

20170917 - A Cross-platform Format to Associate NMR-extracted data (NMReDATA) to Chemical Structures (SMASHNMR)

EPA Science Inventory

An open initiative involving cross-disciplinary contributors of computer-assisted structure elucidation (CASE), including methodology specialists, software and database developers and the editorial board of Magnetic Resonance in Chemistry, is addressing the old problem of reporti...

Software Applications on the Peregrine System | High-Performance Computing

Science.gov Websites

programming and optimization. Gaussian Chemistry Program for calculating molecular electronic structure and Materials Science Open-source classical molecular dynamics program designed for massively parallel systems framework Q-Chem Chemistry ab initio quantum chemistry package for predictin molecular structures

IBIS integrated biological imaging system: electron micrograph image-processing software running on Unix workstations.

PubMed

Flifla, M J; Garreau, M; Rolland, J P; Coatrieux, J L; Thomas, D

1992-12-01

'IBIS' is a set of computer programs concerned with the processing of electron micrographs, with particular emphasis on the requirements for structural analyses of biological macromolecules. The software is written in FORTRAN 77 and runs on Unix workstations. A description of the various functions and the implementation mode is given. Some examples illustrate the user interface.

Software reliability: Application of a reliability model to requirements error analysis

NASA Technical Reports Server (NTRS)

Logan, J.

1980-01-01

The application of a software reliability model having a well defined correspondence of computer program properties to requirements error analysis is described. Requirements error categories which can be related to program structural elements are identified and their effect on program execution considered. The model is applied to a hypothetical B-5 requirement specification for a program module.

INTELLIGENT COMPUTING SYSTEM FOR RESERVOIR ANALYSIS AND RISK ASSESSMENT OF THE RED RIVER FORMATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kenneth D. Luff

2002-06-30

Integrated software has been written that comprises the tool kit for the Intelligent Computing System (ICS). Luff Exploration Company is applying these tools for analysis of carbonate reservoirs in the southern Williston Basin. The integrated software programs are designed to be used by small team consisting of an engineer, geologist and geophysicist. The software tools are flexible and robust, allowing application in many environments for hydrocarbon reservoirs. Keystone elements of the software tools include clustering and neural-network techniques. The tools are used to transform seismic attribute data to reservoir characteristics such as storage (phi-h), probable oil-water contacts, structural depths andmore » structural growth history. When these reservoir characteristics are combined with neural network or fuzzy logic solvers, they can provide a more complete description of the reservoir. This leads to better estimates of hydrocarbons in place, areal limits and potential for infill or step-out drilling. These tools were developed and tested using seismic, geologic and well data from the Red River Play in Bowman County, North Dakota and Harding County, South Dakota. The geologic setting for the Red River Formation is shallow-shelf carbonate at a depth from 8000 to 10,000 ft.« less

INTELLIGENT COMPUTING SYSTEM FOR RESERVOIR ANALYSIS AND RISK ASSESSMENT OF THE RED RIVER FORMATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kenneth D. Luff

2002-09-30

Integrated software has been written that comprises the tool kit for the Intelligent Computing System (ICS). Luff Exploration Company is applying these tools for analysis of carbonate reservoirs in the southern Williston Basin. The integrated software programs are designed to be used by small team consisting of an engineer, geologist and geophysicist. The software tools are flexible and robust, allowing application in many environments for hydrocarbon reservoirs. Keystone elements of the software tools include clustering and neural-network techniques. The tools are used to transform seismic attribute data to reservoir characteristics such as storage (phi-h), probable oil-water contacts, structural depths andmore » structural growth history. When these reservoir characteristics are combined with neural network or fuzzy logic solvers, they can provide a more complete description of the reservoir. This leads to better estimates of hydrocarbons in place, areal limits and potential for infill or step-out drilling. These tools were developed and tested using seismic, geologic and well data from the Red River Play in Bowman County, North Dakota and Harding County, South Dakota. The geologic setting for the Red River Formation is shallow-shelf carbonate at a depth from 8000 to 10,000 ft.« less

The computational structural mechanics testbed architecture. Volume 2: The interface

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.

1988-01-01

This is the third set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language CLAMP, the command language interpreter CLIP, and the data manager GAL. Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 3 describes the CLIP-Processor interface and related topics. It is intended only for processor developers.

The computational structural mechanics testbed architecture. Volume 1: The language

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.

1988-01-01

This is the first set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language CLAMP, the command language interpreter CLIP, and the data manager GAL. Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP, and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 1 presents the basic elements of the CLAMP language and is intended for all users.

The computational structural mechanics testbed architecture. Volume 2: Directives

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.

1989-01-01

This is the second of a set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language (CLAMP), the command language interpreter (CLIP), and the data manager (GAL). Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 2 describes the CLIP directives in detail. It is intended for intermediate and advanced users.

Semiannual report, 1 April - 30 September 1991

NASA Technical Reports Server (NTRS)

1991-01-01

The major categories of the current Institute for Computer Applications in Science and Engineering (ICASE) research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification problems, with emphasis on effective numerical methods; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software for parallel computers. Research in these areas is discussed.

Component-based integration of chemistry and optimization software.

PubMed

Kenny, Joseph P; Benson, Steven J; Alexeev, Yuri; Sarich, Jason; Janssen, Curtis L; McInnes, Lois Curfman; Krishnan, Manojkumar; Nieplocha, Jarek; Jurrus, Elizabeth; Fahlstrom, Carl; Windus, Theresa L

2004-11-15

Typical scientific software designs make rigid assumptions regarding programming language and data structures, frustrating software interoperability and scientific collaboration. Component-based software engineering is an emerging approach to managing the increasing complexity of scientific software. Component technology facilitates code interoperability and reuse. Through the adoption of methodology and tools developed by the Common Component Architecture Forum, we have developed a component architecture for molecular structure optimization. Using the NWChem and Massively Parallel Quantum Chemistry packages, we have produced chemistry components that provide capacity for energy and energy derivative evaluation. We have constructed geometry optimization applications by integrating the Toolkit for Advanced Optimization, Portable Extensible Toolkit for Scientific Computation, and Global Arrays packages, which provide optimization and linear algebra capabilities. We present a brief overview of the component development process and a description of abstract interfaces for chemical optimizations. The components conforming to these abstract interfaces allow the construction of applications using different chemistry and mathematics packages interchangeably. Initial numerical results for the component software demonstrate good performance, and highlight potential research enabled by this platform.

SIRU development. Volume 3: Software description and program documentation

NASA Technical Reports Server (NTRS)

Oehrle, J.

1973-01-01

The development and initial evaluation of a strapdown inertial reference unit (SIRU) system are discussed. The SIRU configuration is a modular inertial subsystem with hardware and software features that achieve fault tolerant operational capabilities. The SIRU redundant hardware design is formulated about a six gyro and six accelerometer instrument module package. The six axes array provides redundant independent sensing and the symmetry enables the formulation of an optimal software redundant data processing structure with self-contained fault detection and isolation (FDI) capabilities. The basic SIRU software coding system used in the DDP-516 computer is documented.

StrAuto: automation and parallelization of STRUCTURE analysis.

PubMed

Chhatre, Vikram E; Emerson, Kevin J

2017-03-24

Population structure inference using the software STRUCTURE has become an integral part of population genetic studies covering a broad spectrum of taxa including humans. The ever-expanding size of genetic data sets poses computational challenges for this analysis. Although at least one tool currently implements parallel computing to reduce computational overload of this analysis, it does not fully automate the use of replicate STRUCTURE analysis runs required for downstream inference of optimal K. There is pressing need for a tool that can deploy population structure analysis on high performance computing clusters. We present an updated version of the popular Python program StrAuto, to streamline population structure analysis using parallel computing. StrAuto implements a pipeline that combines STRUCTURE analysis with the Evanno Δ K analysis and visualization of results using STRUCTURE HARVESTER. Using benchmarking tests, we demonstrate that StrAuto significantly reduces the computational time needed to perform iterative STRUCTURE analysis by distributing runs over two or more processors. StrAuto is the first tool to integrate STRUCTURE analysis with post-processing using a pipeline approach in addition to implementing parallel computation - a set up ideal for deployment on computing clusters. StrAuto is distributed under the GNU GPL (General Public License) and available to download from http://strauto.popgen.org .

Computing the Partition Function for Kinetically Trapped RNA Secondary Structures

PubMed Central

Lorenz, William A.; Clote, Peter

2011-01-01

An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according to the widely accepted Turner nearest neighbor model. Locally optimal structures form kinetic traps, since any evolution away from a locally optimal structure must involve energetically unfavorable folding steps. Here, we present a novel, efficient algorithm to compute the partition function over all locally optimal secondary structures of a given RNA sequence. Our software, RNAlocopt runs in time and space. Additionally, RNAlocopt samples a user-specified number of structures from the Boltzmann subensemble of all locally optimal structures. We apply RNAlocopt to show that (1) the number of locally optimal structures is far fewer than the total number of structures – indeed, the number of locally optimal structures approximately equal to the square root of the number of all structures, (2) the structural diversity of this subensemble may be either similar to or quite different from the structural diversity of the entire Boltzmann ensemble, a situation that depends on the type of input RNA, (3) the (modified) maximum expected accuracy structure, computed by taking into account base pairing frequencies of locally optimal structures, is a more accurate prediction of the native structure than other current thermodynamics-based methods. The software RNAlocopt constitutes a technical breakthrough in our study of the folding landscape for RNA secondary structures. For the first time, locally optimal structures (kinetic traps in the Turner energy model) can be rapidly generated for long RNA sequences, previously impossible with methods that involved exhaustive enumeration. Use of locally optimal structure leads to state-of-the-art secondary structure prediction, as benchmarked against methods involving the computation of minimum free energy and of maximum expected accuracy. Web server and source code available at http://bioinformatics.bc.edu/clotelab/RNAlocopt/. PMID:21297972

48 CFR 252.227-7027 - Deferred ordering of technical data or computer software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... technical data or computer software. 252.227-7027 Section 252.227-7027 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(b), use the following clause: Deferred Ordering of Technical Data or Computer Software (APR 1988) In addition to technical data or computer software...

48 CFR 252.227-7027 - Deferred ordering of technical data or computer software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... technical data or computer software. 252.227-7027 Section 252.227-7027 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(b), use the following clause: Deferred Ordering of Technical Data or Computer Software (APR 1988) In addition to technical data or computer software...

48 CFR 252.227-7027 - Deferred ordering of technical data or computer software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... technical data or computer software. 252.227-7027 Section 252.227-7027 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(b), use the following clause: Deferred Ordering of Technical Data or Computer Software (APR 1988) In addition to technical data or computer software...

48 CFR 252.227-7027 - Deferred ordering of technical data or computer software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... technical data or computer software. 252.227-7027 Section 252.227-7027 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(b), use the following clause: Deferred Ordering of Technical Data or Computer Software (APR 1988) In addition to technical data or computer software...

48 CFR 252.227-7027 - Deferred ordering of technical data or computer software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... technical data or computer software. 252.227-7027 Section 252.227-7027 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(b), use the following clause: Deferred Ordering of Technical Data or Computer Software (APR 1988) In addition to technical data or computer software...

Using Computer Visualization Models in High School Chemistry: The Role of Teacher Beliefs.

ERIC Educational Resources Information Center

Robblee, Karen M.; Garik, Peter; Abegg, Gerald L.; Faux, Russell; Horwitz, Paul

This paper discusses the role of high school chemistry teachers' beliefs in implementing computer visualization software to teach atomic and molecular structure from a quantum mechanical perspective. The informants in this study were four high school chemistry teachers with comparable academic and professional backgrounds. These teachers received…

The Use of Computers and Video Games in Brain Damage Therapy.

ERIC Educational Resources Information Center

Lorimer, David

The use of computer assisted therapy (CAT) in the rehabilitation of individuals with brain damage is examined. Hardware considerations are explored, and the variety of software programs available for brain injury rehabilitation is discussed. Structured testing and treatment programs in time measurement, memory, and direction finding are described,…

Beam Dynamics Simulation Platform and Studies of Beam Breakup in Dielectric Wakefield Structures

NASA Astrophysics Data System (ADS)

Schoessow, P.; Kanareykin, A.; Jing, C.; Kustov, A.; Altmark, A.; Gai, W.

2010-11-01

A particle-Green's function beam dynamics code (BBU-3000) to study beam breakup effects is incorporated into a parallel computing framework based on the Boinc software environment, and supports both task farming on a heterogeneous cluster and local grid computing. User access to the platform is through a web browser.

ODU-CAUSE: Computer Based Learning Lab.

ERIC Educational Resources Information Center

Sachon, Michael W.; Copeland, Gary E.

This paper describes the Computer Based Learning Lab (CBLL) at Old Dominion University (ODU) as a component of the ODU-Comprehensive Assistance to Undergraduate Science Education (CAUSE) Project. Emphasis is directed to the structure and management of the facility and to the software under development by the staff. Serving the ODU-CAUSE User Group…

Supporting Abstraction Processes in Problem Solving through Pattern-Oriented Instruction

ERIC Educational Resources Information Center

Muller, Orna; Haberman, Bruria

2008-01-01

Abstraction is a major concept in computer science and serves as a powerful tool in software development. Pattern-oriented instruction (POI) is a pedagogical approach that incorporates patterns in an introductory computer science course in order to structure the learning of algorithmic problem solving. This paper examines abstraction processes in…

Segmentation and quantification of subcellular structures in fluorescence microscopy images using Squassh.

PubMed

Rizk, Aurélien; Paul, Grégory; Incardona, Pietro; Bugarski, Milica; Mansouri, Maysam; Niemann, Axel; Ziegler, Urs; Berger, Philipp; Sbalzarini, Ivo F

2014-03-01

Detection and quantification of fluorescently labeled molecules in subcellular compartments is a key step in the analysis of many cell biological processes. Pixel-wise colocalization analyses, however, are not always suitable, because they do not provide object-specific information, and they are vulnerable to noise and background fluorescence. Here we present a versatile protocol for a method named 'Squassh' (segmentation and quantification of subcellular shapes), which is used for detecting, delineating and quantifying subcellular structures in fluorescence microscopy images. The workflow is implemented in freely available, user-friendly software. It works on both 2D and 3D images, accounts for the microscope optics and for uneven image background, computes cell masks and provides subpixel accuracy. The Squassh software enables both colocalization and shape analyses. The protocol can be applied in batch, on desktop computers or computer clusters, and it usually requires <1 min and <5 min for 2D and 3D images, respectively. Basic computer-user skills and some experience with fluorescence microscopy are recommended to successfully use the protocol.

Low cost, high performance processing of single particle cryo-electron microscopy data in the cloud.

PubMed

Cianfrocco, Michael A; Leschziner, Andres E

2015-05-08

The advent of a new generation of electron microscopes and direct electron detectors has realized the potential of single particle cryo-electron microscopy (cryo-EM) as a technique to generate high-resolution structures. Calculating these structures requires high performance computing clusters, a resource that may be limiting to many likely cryo-EM users. To address this limitation and facilitate the spread of cryo-EM, we developed a publicly available 'off-the-shelf' computing environment on Amazon's elastic cloud computing infrastructure. This environment provides users with single particle cryo-EM software packages and the ability to create computing clusters with 16-480+ CPUs. We tested our computing environment using a publicly available 80S yeast ribosome dataset and estimate that laboratories could determine high-resolution cryo-EM structures for $50 to $1500 per structure within a timeframe comparable to local clusters. Our analysis shows that Amazon's cloud computing environment may offer a viable computing environment for cryo-EM.

48 CFR 227.7203-1 - Policy.

Code of Federal Regulations, 2014 CFR

2014-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-1 Policy. (a) DoD policy is to acquire only the computer software and computer software documentation, and the rights in such software or documentation, necessary...

48 CFR 227.7203-1 - Policy.

Code of Federal Regulations, 2011 CFR

2011-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-1 Policy. (a) DoD policy is to acquire only the computer software and computer software documentation, and the rights in such software or documentation, necessary...

48 CFR 227.7203-1 - Policy.

Code of Federal Regulations, 2010 CFR

2010-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-1 Policy. (a) DoD policy is to acquire only the computer software and computer software documentation, and the rights in such software or documentation, necessary...

48 CFR 227.7203-1 - Policy.

Code of Federal Regulations, 2013 CFR

2013-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-1 Policy. (a) DoD policy is to acquire only the computer software and computer software documentation, and the rights in such software or documentation, necessary...

48 CFR 227.7203-1 - Policy.

Code of Federal Regulations, 2012 CFR

2012-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-1 Policy. (a) DoD policy is to acquire only the computer software and computer software documentation, and the rights in such software or documentation, necessary...

48 CFR 227.7205 - Contracts for special works.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Computer Software and Computer Software Documentation 227.7205 Contracts for special works. (a) Use the... a specific need to control the distribution of computer software or computer software documentation..., modification, reproduction, release, performance, display, or disclosure of such software or documentation. Use...

48 CFR 227.7205 - Contracts for special works.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Computer Software and Computer Software Documentation 227.7205 Contracts for special works. (a) Use the... a specific need to control the distribution of computer software or computer software documentation..., modification, reproduction, release, performance, display, or disclosure of such software or documentation. Use...

The NASA computer aided design and test system

NASA Technical Reports Server (NTRS)

Gould, J. M.; Juergensen, K.

1973-01-01

A family of computer programs facilitating the design, layout, evaluation, and testing of digital electronic circuitry is described. CADAT (computer aided design and test system) is intended for use by NASA and its contractors and is aimed predominantly at providing cost effective microelectronic subsystems based on custom designed metal oxide semiconductor (MOS) large scale integrated circuits (LSIC's). CADAT software can be easily adopted by installations with a wide variety of computer hardware configurations. Its structure permits ease of update to more powerful component programs and to newly emerging LSIC technologies. The components of the CADAT system are described stressing the interaction of programs rather than detail of coding or algorithms. The CADAT system provides computer aids to derive and document the design intent, includes powerful automatic layout software, permits detailed geometry checks and performance simulation based on mask data, and furnishes test pattern sequences for hardware testing.

Computer-Assisted Structure Elucidation of Black Chokeberry (Aronia melanocarpa) Fruit Juice Isolates with a New Fused Pentacyclic Flavonoid Skeleton.

PubMed

Naman, C Benjamin; Li, Jie; Moser, Arvin; Hendrycks, Jeffery M; Benatrehina, P Annécie; Chai, Heebyung; Yuan, Chunhua; Keller, William J; Kinghorn, A Douglas

2015-06-19

Melanodiol 4″-O-protocatechuate (1) and melanodiol (2) represent novel flavonoid derivatives isolated from a botanical dietary supplement ingredient, dried black chokeberry (Aronia melanocarpa) fruit juice. These noncrystalline compounds possess an unprecedented fused pentacyclic core with two contiguous hemiketals. Due to having significant hydrogen deficiency indices, their structures were determined using computer-assisted structure elucidation software. The in vitro hydroxyl radical-scavenging and quinone reductase-inducing activity of each compound are reported, and a plausible biogenetic scheme is proposed.

Analysis of whisker-toughened CMC structural components using an interactive reliability model

NASA Technical Reports Server (NTRS)

Duffy, Stephen F.; Palko, Joseph L.

1992-01-01

Realizing wider utilization of ceramic matrix composites (CMC) requires the development of advanced structural analysis technologies. This article focuses on the use of interactive reliability models to predict component probability of failure. The deterministic William-Warnke failure criterion serves as theoretical basis for the reliability model presented here. The model has been implemented into a test-bed software program. This computer program has been coupled to a general-purpose finite element program. A simple structural problem is presented to illustrate the reliability model and the computer algorithm.

Computer-Assisted Structure Elucidation of Black Chokeberry (Aronia melanocarpa) Fruit Juice Isolates with a New Fused Pentacyclic Flavonoid Skeleton

PubMed Central

Naman, C. Benjamin; Li, Jie; Moser, Arvin; Hendrycks, Jeffery M.; Benatrehina, P. Annécie; Chai, Heebyung; Yuan, Chunhua; Keller, William J.; Kinghorn, A. Douglas

2015-01-01

Melanodiol 4″-O-protocatechuate (1) and melanodiol (2) represent novel flavonoid derivatives isolated from a botanical dietary supplement ingredient, dried black chokeberry (Aronia melanocarpa) fruit juice. These non-crystalline compounds possess an unprecedented fused pentacyclic core with two contiguous hemiketals. Due to having significant hydrogen deficiency indices, their structures were determined using computer-assisted structure elucidation software. The in vitro hydroxyl radical-scavenging and quinone reductase-inducing activity of each compound are reported, and a plausible biogenetic scheme is proposed PMID:26030740

Development of a computer-assisted learning software package on dental traumatology.

PubMed

Tolidis, K; Crawford, P; Stephens, C; Papadogiannis, Y; Plakias, C

1998-10-01

The development of computer-assisted learning software packages is a relatively new field of computer application. The progress made in personal computer technology toward more user-friendly operating systems has stimulated the academic community to develop computer-assisted learning for pre- and postgraduate students. The ability of computers to combine audio and visual data in an interactive form provides a powerful educational tool. The purpose of this study was to develop and evaluate a computer-assisted learning package on dental traumatology. This program contains background information on the diagnosis, classification, and management of dental injuries in both the permanent and the deciduous dentitions. It is structured into chapters according to the nature of the injury and whether injury has occurred in the primary or permanent dentition. At the end of each chapter there is a self-assessment questionnaire as well as references to relevant literature. Extensive use of pictures and video provides a comprehensive overview of the subject.

48 CFR 227.7203-6 - Contract clauses.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Software and Computer Software Documentation 227.7203-6 Contract clauses. (a)(1) Use the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, in solicitations and contracts when the successful offeror(s) will be required to deliver computer software or...

48 CFR 227.7203-6 - Contract clauses.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Software and Computer Software Documentation 227.7203-6 Contract clauses. (a)(1) Use the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, in solicitations and contracts when the successful offeror(s) will be required to deliver computer software or...

48 CFR 227.7203-6 - Contract clauses.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Software and Computer Software Documentation 227.7203-6 Contract clauses. (a)(1) Use the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, in solicitations and contracts when the successful offeror(s) will be required to deliver computer software or...

48 CFR 227.7203-6 - Contract clauses.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Software and Computer Software Documentation 227.7203-6 Contract clauses. (a)(1) Use the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, in solicitations and contracts when the successful offeror(s) will be required to deliver computer software or...

48 CFR 227.7203-6 - Contract clauses.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Software and Computer Software Documentation 227.7203-6 Contract clauses. (a)(1) Use the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, in solicitations and contracts when the successful offeror(s) will be required to deliver computer software or...

LLIMAS: Revolutionizing integrating modeling and analysis at MIT Lincoln Laboratory

NASA Astrophysics Data System (ADS)

Doyle, Keith B.; Stoeckel, Gerhard P.; Rey, Justin J.; Bury, Mark E.

2017-08-01

MIT Lincoln Laboratory's Integrated Modeling and Analysis Software (LLIMAS) enables the development of novel engineering solutions for advanced prototype systems through unique insights into engineering performance and interdisciplinary behavior to meet challenging size, weight, power, environmental, and performance requirements. LLIMAS is a multidisciplinary design optimization tool that wraps numerical optimization algorithms around an integrated framework of structural, thermal, optical, stray light, and computational fluid dynamics analysis capabilities. LLIMAS software is highly extensible and has developed organically across a variety of technologies including laser communications, directed energy, photometric detectors, chemical sensing, laser radar, and imaging systems. The custom software architecture leverages the capabilities of existing industry standard commercial software and supports the incorporation of internally developed tools. Recent advances in LLIMAS's Structural-Thermal-Optical Performance (STOP), aeromechanical, and aero-optical capabilities as applied to Lincoln prototypes are presented.

Prediction of ball and roller bearing thermal and kinematic performance by computer analysis

NASA Technical Reports Server (NTRS)

Pirvics, J.; Kleckner, R. J.

1983-01-01

Characteristics of good computerized analysis software are suggested. These general remarks and an overview of representative software precede a more detailed discussion of load support system analysis program structure. Particular attention is directed at a recent cylindrical roller bearing analysis as an example of the available design tools. Selected software modules are then examined to reveal the detail inherent in contemporary analysis. This leads to a brief section on current design computation which seeks to suggest when and why computerized analysis is warranted. An example concludes the argument offered for such design methodology. Finally, remarks are made concerning needs for model development to address effects which are now considered to be secondary but are anticipated to emerge to primary status in the near future.

[The use of open source software in graphic anatomic reconstructions and in biomechanic simulations].

PubMed

Ciobanu, O

2009-01-01

The objective of this study was to obtain three-dimensional (3D) images and to perform biomechanical simulations starting from DICOM images obtained by computed tomography (CT). Open source software were used to prepare digitized 2D images of tissue sections and to create 3D reconstruction from the segmented structures. Finally, 3D images were used in open source software in order to perform biomechanic simulations. This study demonstrates the applicability and feasibility of open source software developed in our days for the 3D reconstruction and biomechanic simulation. The use of open source software may improve the efficiency of investments in imaging technologies and in CAD/CAM technologies for implants and prosthesis fabrication which need expensive specialized software.

Application of desktop computers in nuclear engineering education

DOE Office of Scientific and Technical Information (OSTI.GOV)

Graves, H.W. Jr.

1990-01-01

Utilization of desktop computers in the academic environment is based on the same objectives as in the industrial environment - increased quality and efficiency. Desktop computers can be extremely useful teaching tools in two general areas: classroom demonstrations and homework assignments. Although differences in emphasis exist, tutorial programs share many characteristics with interactive software developed for the industrial environment. In the Reactor Design and Fuel Management course at the University of Maryland, several interactive tutorial programs provided by Energy analysis Software Service have been utilized. These programs have been designed to be sufficiently structured to permit an orderly, disciplined solutionmore » to the problem being solved, and yet be flexible enough to accommodate most problem solution options.« less

Applications of Phase-Based Motion Processing

NASA Technical Reports Server (NTRS)

Branch, Nicholas A.; Stewart, Eric C.

2018-01-01

Image pyramids provide useful information in determining structural response at low cost using commercially available cameras. The current effort applies previous work on the complex steerable pyramid to analyze and identify imperceptible linear motions in video. Instead of implicitly computing motion spectra through phase analysis of the complex steerable pyramid and magnifying the associated motions, instead present a visual technique and the necessary software to display the phase changes of high frequency signals within video. The present technique quickly identifies regions of largest motion within a video with a single phase visualization and without the artifacts of motion magnification, but requires use of the computationally intensive Fourier transform. While Riesz pyramids present an alternative to the computationally intensive complex steerable pyramid for motion magnification, the Riesz formulation contains significant noise, and motion magnification still presents large amounts of data that cannot be quickly assessed by the human eye. Thus, user-friendly software is presented for quickly identifying structural response through optical flow and phase visualization in both Python and MATLAB.

Numerical arc segmentation algorithm for a radio conference-NASARC (version 2.0) technical manual

NASA Technical Reports Server (NTRS)

Whyte, Wayne A., Jr.; Heyward, Ann O.; Ponchak, Denise S.; Spence, Rodney L.; Zuzek, John E.

1987-01-01

The information contained in the NASARC (Version 2.0) Technical Manual (NASA TM-100160) and NASARC (Version 2.0) User's Manual (NASA TM-100161) relates to the state of NASARC software development through October 16, 1987. The Technical Manual describes the Numerical Arc Segmentation Algorithm for a Radio Conference (NASARC) concept and the algorithms used to implement the concept. The User's Manual provides information on computer system considerations, installation instructions, description of input files, and program operating instructions. Significant revisions have been incorporated in the Version 2.0 software. These revisions have enhanced the modeling capabilities of the NASARC procedure while greatly reducing the computer run time and memory requirements. Array dimensions within the software have been structured to fit within the currently available 6-megabyte memory capacity of the International Frequency Registration Board (IFRB) computer facility. A piecewise approach to predetermined arc generation in NASARC (Version 2.0) allows worldwide scenarios to be accommodated within these memory constraints while at the same time effecting an overall reduction in computer run time.

Numerical Arc Segmentation Algorithm for a Radio Conference-NASARC, Version 2.0: User's Manual

NASA Technical Reports Server (NTRS)

Whyte, Wayne A., Jr.; Heyward, Ann O.; Ponchak, Denise S.; Spence, Rodney L.; Zuzek, John E.

1987-01-01

The information contained in the NASARC (Version 2.0) Technical Manual (NASA TM-100160) and the NASARC (Version 2.0) User's Manual (NASA TM-100161) relates to the state of the Numerical Arc Segmentation Algorithm for a Radio Conference (NASARC) software development through October 16, 1987. The technical manual describes the NASARC concept and the algorithms which are used to implement it. The User's Manual provides information on computer system considerations, installation instructions, description of input files, and program operation instructions. Significant revisions have been incorporated in the Version 2.0 software over prior versions. These revisions have enhanced the modeling capabilities of the NASARC procedure while greatly reducing the computer run time and memory requirements. Array dimensions within the software have been structured to fit into the currently available 6-megabyte memory capacity of the International Frequency Registration Board (IFRB) computer facility. A piecewise approach to predetermined arc generation in NASARC (Version 2.0) allows worldwide scenarios to be accommodated within these memory constraints while at the same time reducing computer run time.

High-Performance Mixed Models Based Genome-Wide Association Analysis with omicABEL software

PubMed Central

Fabregat-Traver, Diego; Sharapov, Sodbo Zh.; Hayward, Caroline; Rudan, Igor; Campbell, Harry; Aulchenko, Yurii; Bientinesi, Paolo

2014-01-01

To raise the power of genome-wide association studies (GWAS) and avoid false-positive results in structured populations, one can rely on mixed model based tests. When large samples are used, and when multiple traits are to be studied in the ’omics’ context, this approach becomes computationally challenging. Here we consider the problem of mixed-model based GWAS for arbitrary number of traits, and demonstrate that for the analysis of single-trait and multiple-trait scenarios different computational algorithms are optimal. We implement these optimal algorithms in a high-performance computing framework that uses state-of-the-art linear algebra kernels, incorporates optimizations, and avoids redundant computations, increasing throughput while reducing memory usage and energy consumption. We show that, compared to existing libraries, our algorithms and software achieve considerable speed-ups. The OmicABEL software described in this manuscript is available under the GNU GPL v. 3 license as part of the GenABEL project for statistical genomics at http: //www.genabel.org/packages/OmicABEL. PMID:25717363

High-Performance Mixed Models Based Genome-Wide Association Analysis with omicABEL software.

PubMed

Fabregat-Traver, Diego; Sharapov, Sodbo Zh; Hayward, Caroline; Rudan, Igor; Campbell, Harry; Aulchenko, Yurii; Bientinesi, Paolo

2014-01-01

To raise the power of genome-wide association studies (GWAS) and avoid false-positive results in structured populations, one can rely on mixed model based tests. When large samples are used, and when multiple traits are to be studied in the 'omics' context, this approach becomes computationally challenging. Here we consider the problem of mixed-model based GWAS for arbitrary number of traits, and demonstrate that for the analysis of single-trait and multiple-trait scenarios different computational algorithms are optimal. We implement these optimal algorithms in a high-performance computing framework that uses state-of-the-art linear algebra kernels, incorporates optimizations, and avoids redundant computations, increasing throughput while reducing memory usage and energy consumption. We show that, compared to existing libraries, our algorithms and software achieve considerable speed-ups. The OmicABEL software described in this manuscript is available under the GNU GPL v. 3 license as part of the GenABEL project for statistical genomics at http: //www.genabel.org/packages/OmicABEL.

48 CFR 52.227-14 - Rights in Data-General.

Code of Federal Regulations, 2010 CFR

2010-10-01

... software. Computer software—(1) Means (i) Computer programs that comprise a series of instructions, rules... or computer software documentation. Computer software documentation means owner's manuals, user's... medium, that explain the capabilities of the computer software or provide instructions for using the...

Quantum chemical parameters in QSAR: what do I use when?

USGS Publications Warehouse

Hickey, James P.; Ostrander, Gary K.

1996-01-01

This chapter provides a brief overview of the numerous quantum chemical parameters that have been/are currently being used in quantitative structure activity relationships (QSAR), along with a representative bibliography. The parameters will be grouped according to their mechanistic interpretations, and representative biological and physical chemical applications will be mentioned. Parmater computation methods and the appropriate software are highlighted, as are sources for software.

XaNSoNS: GPU-accelerated simulator of diffraction patterns of nanoparticles

NASA Astrophysics Data System (ADS)

Neverov, V. S.

XaNSoNS is an open source software with GPU support, which simulates X-ray and neutron 1D (or 2D) diffraction patterns and pair-distribution functions (PDF) for amorphous or crystalline nanoparticles (up to ∼107 atoms) of heterogeneous structural content. Among the multiple parameters of the structure the user may specify atomic displacements, site occupancies, molecular displacements and molecular rotations. The software uses general equations nonspecific to crystalline structures to calculate the scattering intensity. It supports four major standards of parallel computing: MPI, OpenMP, Nvidia CUDA and OpenCL, enabling it to run on various architectures, from CPU-based HPCs to consumer-level GPUs.

Acoustic Emission Analysis Applet (AEAA) Software

NASA Technical Reports Server (NTRS)

Nichols, Charles T.; Roth, Don J.

2013-01-01

NASA Glenn Research and NASA White Sands Test Facility have developed software supporting an automated pressure vessel structural health monitoring (SHM) system based on acoustic emissions (AE). The software, referred to as the Acoustic Emission Analysis Applet (AEAA), provides analysts with a tool that can interrogate data collected on Digital Wave Corp. and Physical Acoustics Corp. software using a wide spectrum of powerful filters and charts. This software can be made to work with any data once the data format is known. The applet will compute basic AE statistics, and statistics as a function of time and pressure (see figure). AEAA provides value added beyond the analysis provided by the respective vendors' analysis software. The software can handle data sets of unlimited size. A wide variety of government and commercial applications could benefit from this technology, notably requalification and usage tests for compressed gas and hydrogen-fueled vehicles. Future enhancements will add features similar to a "check engine" light on a vehicle. Once installed, the system will ultimately be used to alert International Space Station crewmembers to critical structural instabilities, but will have little impact to missions otherwise. Diagnostic information could then be transmitted to experienced technicians on the ground in a timely manner to determine whether pressure vessels have been impacted, are structurally unsound, or can be safely used to complete the mission.

Integrated analysis of engine structures

NASA Technical Reports Server (NTRS)

Chamis, C. C.

1981-01-01

The need for light, durable, fuel efficient, cost effective aircraft requires the development of engine structures which are flexible, made from advaced materials (including composites), resist higher temperatures, maintain tighter clearances and have lower maintenance costs. The formal quantification of any or several of these requires integrated computer programs (multilevel and/or interdisciplinary analysis programs interconnected) for engine structural analysis/design. Several integrated analysis computer prorams are under development at Lewis Reseach Center. These programs include: (1) COBSTRAN-Composite Blade Structural Analysis, (2) CODSTRAN-Composite Durability Structural Analysis, (3) CISTRAN-Composite Impact Structural Analysis, (4) STAEBL-StruTailoring of Engine Blades, and (5) ESMOSS-Engine Structures Modeling Software System. Three other related programs, developed under Lewis sponsorship, are described.

ODEion--a software module for structural identification of ordinary differential equations.

PubMed

Gennemark, Peter; Wedelin, Dag

2014-02-01

In the systems biology field, algorithms for structural identification of ordinary differential equations (ODEs) have mainly focused on fixed model spaces like S-systems and/or on methods that require sufficiently good data so that derivatives can be accurately estimated. There is therefore a lack of methods and software that can handle more general models and realistic data. We present ODEion, a software module for structural identification of ODEs. Main characteristic features of the software are: • The model space is defined by arbitrary user-defined functions that can be nonlinear in both variables and parameters, such as for example chemical rate reactions. • ODEion implements computationally efficient algorithms that have been shown to efficiently handle sparse and noisy data. It can run a range of realistic problems that previously required a supercomputer. • ODEion is easy to use and provides SBML output. We describe the mathematical problem, the ODEion system itself, and provide several examples of how the system can be used. Available at: http://www.odeidentification.org.

48 CFR 227.7203-9 - Copyright.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Software and Computer Software Documentation 227.7203-9 Copyright. (a) Copyright license. (1) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software... Government to reproduce the software or documentation, distribute copies, perform or display the software or...

48 CFR 227.7203-9 - Copyright.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Software and Computer Software Documentation 227.7203-9 Copyright. (a) Copyright license. (1) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software... Government to reproduce the software or documentation, distribute copies, perform or display the software or...

48 CFR 227.7203-9 - Copyright.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Software and Computer Software Documentation 227.7203-9 Copyright. (a) Copyright license. (1) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software... Government to reproduce the software or documentation, distribute copies, perform or display the software or...

48 CFR 227.7203-9 - Copyright.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Software and Computer Software Documentation 227.7203-9 Copyright. (a) Copyright license. (1) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software... Government to reproduce the software or documentation, distribute copies, perform or display the software or...

48 CFR 227.7203-9 - Copyright.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Software and Computer Software Documentation 227.7203-9 Copyright. (a) Copyright license. (1) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software... Government to reproduce the software or documentation, distribute copies, perform or display the software or...

Highway rock slope management program.

DOT National Transportation Integrated Search

2001-06-30

Development of a comprehensive geotechnical database for risk management of highway rock slope problems is described. Computer software selected to program the client/server application in windows environment, components and structure of the geote...

Applications of large-scale density functional theory in biology

NASA Astrophysics Data System (ADS)

Cole, Daniel J.; Hine, Nicholas D. M.

2016-10-01

Density functional theory (DFT) has become a routine tool for the computation of electronic structure in the physics, materials and chemistry fields. Yet the application of traditional DFT to problems in the biological sciences is hindered, to a large extent, by the unfavourable scaling of the computational effort with system size. Here, we review some of the major software and functionality advances that enable insightful electronic structure calculations to be performed on systems comprising many thousands of atoms. We describe some of the early applications of large-scale DFT to the computation of the electronic properties and structure of biomolecules, as well as to paradigmatic problems in enzymology, metalloproteins, photosynthesis and computer-aided drug design. With this review, we hope to demonstrate that first principles modelling of biological structure-function relationships are approaching a reality.

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures

PubMed Central

Manolakos, Elias S.

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub. PMID:26605332

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures.

PubMed

Sharma, Anuj; Manolakos, Elias S

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub.

Maximum Likelihood Estimation of Nonlinear Structural Equation Models with Ignorable Missing Data

ERIC Educational Resources Information Center

Lee, Sik-Yum; Song, Xin-Yuan; Lee, John C. K.

2003-01-01

The existing maximum likelihood theory and its computer software in structural equation modeling are established on the basis of linear relationships among latent variables with fully observed data. However, in social and behavioral sciences, nonlinear relationships among the latent variables are important for establishing more meaningful models…

Using RNA Sequence and Structure for the Prediction of Riboswitch Aptamer: A Comprehensive Review of Available Software and Tools

PubMed Central

Antunes, Deborah; Jorge, Natasha A. N.; Caffarena, Ernesto R.; Passetti, Fabio

2018-01-01

RNA molecules are essential players in many fundamental biological processes. Prokaryotes and eukaryotes have distinct RNA classes with specific structural features and functional roles. Computational prediction of protein structures is a research field in which high confidence three-dimensional protein models can be proposed based on the sequence alignment between target and templates. However, to date, only a few approaches have been developed for the computational prediction of RNA structures. Similar to proteins, RNA structures may be altered due to the interaction with various ligands, including proteins, other RNAs, and metabolites. A riboswitch is a molecular mechanism, found in the three kingdoms of life, in which the RNA structure is modified by the binding of a metabolite. It can regulate multiple gene expression mechanisms, such as transcription, translation initiation, and mRNA splicing and processing. Due to their nature, these entities also act on the regulation of gene expression and detection of small metabolites and have the potential to helping in the discovery of new classes of antimicrobial agents. In this review, we describe software and web servers currently available for riboswitch aptamer identification and secondary and tertiary structure prediction, including applications. PMID:29403526

48 CFR 227.7203-13 - Government right to review, verify, challenge and validate asserted restrictions.

Code of Federal Regulations, 2013 CFR

2013-10-01

... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227..., reproduce, release, or disclose computer software or computer software documentation do not, by themselves, determine the extent of the Government's rights in such software or documentation. The Government may...

48 CFR 227.7203-13 - Government right to review, verify, challenge and validate asserted restrictions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227..., reproduce, release, or disclose computer software or computer software documentation do not, by themselves, determine the extent of the Government's rights in such software or documentation. The Government may...

48 CFR 227.7203-13 - Government right to review, verify, challenge and validate asserted restrictions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227..., reproduce, release, or disclose computer software or computer software documentation do not, by themselves, determine the extent of the Government's rights in such software or documentation. The Government may...

48 CFR 227.7203-13 - Government right to review, verify, challenge and validate asserted restrictions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227..., reproduce, release, or disclose computer software or computer software documentation do not, by themselves, determine the extent of the Government's rights in such software or documentation. The Government may...

48 CFR 227.7203-13 - Government right to review, verify, challenge and validate asserted restrictions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227..., reproduce, release, or disclose computer software or computer software documentation do not, by themselves, determine the extent of the Government's rights in such software or documentation. The Government may...

Software Design Strategies for Multidisciplinary Computational Fluid Dynamics

DTIC Science & Technology

2012-07-01

on the left-hand-side of Figure 3. The resulting unstructured grid system does a good job of representing the flowfield locally around the solid... Laboratory [16–19]. It uses Cartesian block structured grids, which lead to a substantially more efficient computational execution compared to the...including blade sectional lift and pitching moment. These Helios-computed airloads show good agreement with the experimental data. Many of the

Computer software.

PubMed

Rosenthal, L E

1986-10-01

Software is the component in a computer system that permits the hardware to perform the various functions that a computer system is capable of doing. The history of software and its development can be traced to the early nineteenth century. All computer systems are designed to utilize the "stored program concept" as first developed by Charles Babbage in the 1850s. The concept was lost until the mid-1940s, when modern computers made their appearance. Today, because of the complex and myriad tasks that a computer system can perform, there has been a differentiation of types of software. There is software designed to perform specific business applications. There is software that controls the overall operation of a computer system. And there is software that is designed to carry out specialized tasks. Regardless of types, software is the most critical component of any computer system. Without it, all one has is a collection of circuits, transistors, and silicone chips.

Probabilistic structural mechanics research for parallel processing computers

NASA Technical Reports Server (NTRS)

Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Martin, William R.

1991-01-01

Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

Missileborne Artificial Vision System (MAVIS)

NASA Technical Reports Server (NTRS)

Andes, David K.; Witham, James C.; Miles, Michael D.

1994-01-01

Several years ago when INTEL and China Lake designed the ETANN chip, analog VLSI appeared to be the only way to do high density neural computing. In the last five years, however, digital parallel processing chips capable of performing neural computation functions have evolved to the point of rough equality with analog chips in system level computational density. The Naval Air Warfare Center, China Lake, has developed a real time, hardware and software system designed to implement and evaluate biologically inspired retinal and cortical models. The hardware is based on the Adaptive Solutions Inc. massively parallel CNAPS system COHO boards. Each COHO board is a standard size 6U VME card featuring 256 fixed point, RISC processors running at 20 MHz in a SIMD configuration. Each COHO board has a companion board built to support a real time VSB interface to an imaging seeker, a NTSC camera, and to other COHO boards. The system is designed to have multiple SIMD machines each performing different corticomorphic functions. The system level software has been developed which allows a high level description of corticomorphic structures to be translated into the native microcode of the CNAPS chips. Corticomorphic structures are those neural structures with a form similar to that of the retina, the lateral geniculate nucleus, or the visual cortex. This real time hardware system is designed to be shrunk into a volume compatible with air launched tactical missiles. Initial versions of the software and hardware have been completed and are in the early stages of integration with a missile seeker.

cryoem-cloud-tools: A software platform to deploy and manage cryo-EM jobs in the cloud.

PubMed

Cianfrocco, Michael A; Lahiri, Indrajit; DiMaio, Frank; Leschziner, Andres E

2018-06-01

Access to streamlined computational resources remains a significant bottleneck for new users of cryo-electron microscopy (cryo-EM). To address this, we have developed tools that will submit cryo-EM analysis routines and atomic model building jobs directly to Amazon Web Services (AWS) from a local computer or laptop. These new software tools ("cryoem-cloud-tools") have incorporated optimal data movement, security, and cost-saving strategies, giving novice users access to complex cryo-EM data processing pipelines. Integrating these tools into the RELION processing pipeline and graphical user interface we determined a 2.2 Å structure of ß-galactosidase in ∼55 hours on AWS. We implemented a similar strategy to submit Rosetta atomic model building and refinement to AWS. These software tools dramatically reduce the barrier for entry of new users to cloud computing for cryo-EM and are freely available at cryoem-tools.cloud. Copyright © 2018. Published by Elsevier Inc.

Software package for modeling spin–orbit motion in storage rings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zyuzin, D. V., E-mail: d.zyuzin@fz-juelich.de

2015-12-15

A software package providing a graphical user interface for computer experiments on the motion of charged particle beams in accelerators, as well as analysis of obtained data, is presented. The software package was tested in the framework of the international project on electric dipole moment measurement JEDI (Jülich Electric Dipole moment Investigations). The specific features of particle spin motion imply the requirement to use a cyclic accelerator (storage ring) consisting of electrostatic elements, which makes it possible to preserve horizontal polarization for a long time. Computer experiments study the dynamics of 10{sup 6}–10{sup 9} particles in a beam during 10{supmore » 9} turns in an accelerator (about 10{sup 12}–10{sup 15} integration steps for the equations of motion). For designing an optimal accelerator structure, a large number of computer experiments on polarized beam dynamics are required. The numerical core of the package is COSY Infinity, a program for modeling spin–orbit dynamics.« less

Numerical Arc Segmentation Algorithm for a Radio Conference-NASARC (version 4.0) technical manual

NASA Technical Reports Server (NTRS)

Whyte, Wayne A., Jr.; Heyward, Ann O.; Ponchak, Denise S.; Spence, Rodney L.; Zuzek, John E.

1988-01-01

The information contained in the NASARC (Version 4.0) Technical Manual and NASARC (Version 4.0) User's Manual relates to the Numerical Arc Segmentation Algorithm for a Radio Conference (NASARC) software development through November 1, 1988. The Technical Manual describes the NASARC concept and the algorithms used to implement the concept. The User's Manual provides information on computer system considerations, installation instructions, description of input files, and program operation instructions. Significant revisions were incorporated in the Version 4.0 software over prior versions. These revisions have further enhanced the modeling capabilities of the NASARC procedure and provide improved arrangements of predetermined arcs within the geostationary orbits. Array dimensions within the software were structured to fit within the currently available 12 megabyte memory capacity of the International Frequency Registration Board (IFRB) computer facility. A piecewise approach to predetermined arc generation in NASARC (Version 4.0) allows worldwide planning problem scenarios to be accommodated within computer run time and memory constraints with enhanced likelihood and ease of solution.

EON: software for long time simulations of atomic scale systems

NASA Astrophysics Data System (ADS)

Chill, Samuel T.; Welborn, Matthew; Terrell, Rye; Zhang, Liang; Berthet, Jean-Claude; Pedersen, Andreas; Jónsson, Hannes; Henkelman, Graeme

2014-07-01

The EON software is designed for simulations of the state-to-state evolution of atomic scale systems over timescales greatly exceeding that of direct classical dynamics. States are defined as collections of atomic configurations from which a minimization of the potential energy gives the same inherent structure. The time evolution is assumed to be governed by rare events, where transitions between states are uncorrelated and infrequent compared with the timescale of atomic vibrations. Several methods for calculating the state-to-state evolution have been implemented in EON, including parallel replica dynamics, hyperdynamics and adaptive kinetic Monte Carlo. Global optimization methods, including simulated annealing, basin hopping and minima hopping are also implemented. The software has a client/server architecture where the computationally intensive evaluations of the interatomic interactions are calculated on the client-side and the state-to-state evolution is managed by the server. The client supports optimization for different computer architectures to maximize computational efficiency. The server is written in Python so that developers have access to the high-level functionality without delving into the computationally intensive components. Communication between the server and clients is abstracted so that calculations can be deployed on a single machine, clusters using a queuing system, large parallel computers using a message passing interface, or within a distributed computing environment. A generic interface to the evaluation of the interatomic interactions is defined so that empirical potentials, such as in LAMMPS, and density functional theory as implemented in VASP and GPAW can be used interchangeably. Examples are given to demonstrate the range of systems that can be modeled, including surface diffusion and island ripening of adsorbed atoms on metal surfaces, molecular diffusion on the surface of ice and global structural optimization of nanoparticles.

48 CFR 227.7202-1 - Policy.

Code of Federal Regulations, 2011 CFR

2011-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-1 Policy. (a) Commercial computer software or commercial computer software documentation shall be acquired under the licenses customarily provided to the public...

48 CFR 227.7202-1 - Policy.

Code of Federal Regulations, 2014 CFR

2014-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-1 Policy. (a) Commercial computer software or commercial computer software documentation shall be acquired under the licenses customarily provided to the public...

48 CFR 227.7202-1 - Policy.

Code of Federal Regulations, 2013 CFR

2013-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-1 Policy. (a) Commercial computer software or commercial computer software documentation shall be acquired under the licenses customarily provided to the public...

48 CFR 227.7202-1 - Policy.

Code of Federal Regulations, 2012 CFR

2012-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-1 Policy. (a) Commercial computer software or commercial computer software documentation shall be acquired under the licenses customarily provided to the public...

48 CFR 227.7202-1 - Policy.

Code of Federal Regulations, 2010 CFR

2010-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7202-1 Policy. (a) Commercial computer software or commercial computer software documentation shall be acquired under the licenses customarily provided to the public...

Low Cost, Scalable Proteomics Data Analysis Using Amazon's Cloud Computing Services and Open Source Search Algorithms

PubMed Central

Halligan, Brian D.; Geiger, Joey F.; Vallejos, Andrew K.; Greene, Andrew S.; Twigger, Simon N.

2009-01-01

One of the major difficulties for many laboratories setting up proteomics programs has been obtaining and maintaining the computational infrastructure required for the analysis of the large flow of proteomics data. We describe a system that combines distributed cloud computing and open source software to allow laboratories to set up scalable virtual proteomics analysis clusters without the investment in computational hardware or software licensing fees. Additionally, the pricing structure of distributed computing providers, such as Amazon Web Services, allows laboratories or even individuals to have large-scale computational resources at their disposal at a very low cost per run. We provide detailed step by step instructions on how to implement the virtual proteomics analysis clusters as well as a list of current available preconfigured Amazon machine images containing the OMSSA and X!Tandem search algorithms and sequence databases on the Medical College of Wisconsin Proteomics Center website (http://proteomics.mcw.edu/vipdac). PMID:19358578

Low cost, scalable proteomics data analysis using Amazon's cloud computing services and open source search algorithms.

PubMed

Halligan, Brian D; Geiger, Joey F; Vallejos, Andrew K; Greene, Andrew S; Twigger, Simon N

2009-06-01

One of the major difficulties for many laboratories setting up proteomics programs has been obtaining and maintaining the computational infrastructure required for the analysis of the large flow of proteomics data. We describe a system that combines distributed cloud computing and open source software to allow laboratories to set up scalable virtual proteomics analysis clusters without the investment in computational hardware or software licensing fees. Additionally, the pricing structure of distributed computing providers, such as Amazon Web Services, allows laboratories or even individuals to have large-scale computational resources at their disposal at a very low cost per run. We provide detailed step-by-step instructions on how to implement the virtual proteomics analysis clusters as well as a list of current available preconfigured Amazon machine images containing the OMSSA and X!Tandem search algorithms and sequence databases on the Medical College of Wisconsin Proteomics Center Web site ( http://proteomics.mcw.edu/vipdac ).

77 FR 50726 - Software Requirement Specifications for Digital Computer Software and Complex Electronics Used in...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-22

... Computer Software and Complex Electronics Used in Safety Systems of Nuclear Power Plants AGENCY: Nuclear...-1209, ``Software Requirement Specifications for Digital Computer Software and Complex Electronics used... Electronics Engineers (ANSI/IEEE) Standard 830-1998, ``IEEE Recommended Practice for Software Requirements...

48 CFR 227.7207 - Contractor data repositories.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Computer Software and Computer Software Documentation 227.7207 Contractor data repositories. Follow 227.7108 when it is in the Government's interests to have a data repository include computer software or to have a separate computer software repository. Contractual instruments establishing the repository...

48 CFR 227.7200 - Scope of subpart.

Code of Federal Regulations, 2013 CFR

2013-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7200 Scope of subpart. This subpart— (a) Prescribes policies and procedures for the acquisition of computer software and computer software documentation, and the...

48 CFR 227.7200 - Scope of subpart.

Code of Federal Regulations, 2014 CFR

2014-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7200 Scope of subpart. This subpart— (a) Prescribes policies and procedures for the acquisition of computer software and computer software documentation, and the...

48 CFR 227.7200 - Scope of subpart.

Code of Federal Regulations, 2010 CFR

2010-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7200 Scope of subpart. This subpart— (a) Prescribes policies and procedures for the acquisition of computer software and computer software documentation, and the...

48 CFR 227.7207 - Contractor data repositories.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Computer Software and Computer Software Documentation 227.7207 Contractor data repositories. Follow 227.7108 when it is in the Government's interests to have a data repository include computer software or to have a separate computer software repository. Contractual instruments establishing the repository...

48 CFR 227.7207 - Contractor data repositories.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Computer Software and Computer Software Documentation 227.7207 Contractor data repositories. Follow 227.7108 when it is in the Government's interests to have a data repository include computer software or to have a separate computer software repository. Contractual instruments establishing the repository...

48 CFR 227.7200 - Scope of subpart.

Code of Federal Regulations, 2011 CFR

2011-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7200 Scope of subpart. This subpart— (a) Prescribes policies and procedures for the acquisition of computer software and computer software documentation, and the...

48 CFR 227.7207 - Contractor data repositories.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Computer Software and Computer Software Documentation 227.7207 Contractor data repositories. Follow 227.7108 when it is in the Government's interests to have a data repository include computer software or to have a separate computer software repository. Contractual instruments establishing the repository...

48 CFR 227.7200 - Scope of subpart.

Code of Federal Regulations, 2012 CFR

2012-10-01

... OF DEFENSE GENERAL CONTRACTING REQUIREMENTS PATENTS, DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7200 Scope of subpart. This subpart— (a) Prescribes policies and procedures for the acquisition of computer software and computer software documentation, and the...

Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

NASA Technical Reports Server (NTRS)

Thorp, Scott A.

1992-01-01

This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

Beyond the Renderer: Software Architecture for Parallel Graphics and Visualization

NASA Technical Reports Server (NTRS)

Crockett, Thomas W.

1996-01-01

As numerous implementations have demonstrated, software-based parallel rendering is an effective way to obtain the needed computational power for a variety of challenging applications in computer graphics and scientific visualization. To fully realize their potential, however, parallel renderers need to be integrated into a complete environment for generating, manipulating, and delivering visual data. We examine the structure and components of such an environment, including the programming and user interfaces, rendering engines, and image delivery systems. We consider some of the constraints imposed by real-world applications and discuss the problems and issues involved in bringing parallel rendering out of the lab and into production.

Scientific Computation Application Partnerships in Materials and Chemical Sciences, Charge Transfer and Charge Transport in Photoactivated Systems, Developing Electron-Correlated Methods for Excited State Structure and Dynamics in the NWChem Software Suite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cramer, Christopher J.

Charge transfer and charge transport in photoactivated systems are fundamental processes that underlie solar energy capture, solar energy conversion, and photoactivated catalysis, both organometallic and enzymatic. We developed methods, algorithms, and software tools needed for reliable treatment of the underlying physics for charge transfer and charge transport, an undertaking with broad applicability to the goals of the fundamental-interaction component of the Department of Energy Office of Basic Energy Sciences and the exascale initiative of the Office of Advanced Scientific Computing Research.

Long-term real-time structural health monitoring using wireless smart sensor

NASA Astrophysics Data System (ADS)

Jang, Shinae; Mensah-Bonsu, Priscilla O.; Li, Jingcheng; Dahal, Sushil

2013-04-01

Improving the safety and security of civil infrastructure has become a critical issue for decades since it plays a central role in the economics and politics of a modern society. Structural health monitoring of civil infrastructure using wireless smart sensor network has emerged as a promising solution recently to increase structural reliability, enhance inspection quality, and reduce maintenance costs. Though hardware and software framework are well prepared for wireless smart sensors, the long-term real-time health monitoring strategy are still not available due to the lack of systematic interface. In this paper, the Imote2 smart sensor platform is employed, and a graphical user interface for the long-term real-time structural health monitoring has been developed based on Matlab for the Imote2 platform. This computer-aided engineering platform enables the control, visualization of measured data as well as safety alarm feature based on modal property fluctuation. A new decision making strategy to check the safety is also developed and integrated in this software. Laboratory validation of the computer aided engineering platform for the Imote2 on a truss bridge and a building structure has shown the potential of the interface for long-term real-time structural health monitoring.

Computer Aided Instruction (CAI) for the Shipboard Nontactical ADP Program (SNAP). Interim report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duncan, L.D.; Hammons, C.E.; Hume, R.

Oak Ridge National Laboratory is developing a prototype computer aided instruction package for the Navy Management Systems Support Office. This report discusses the background of the project and the progress to date including a description of the software design, problems encountered, solutions found, and recommendations. The objective of this project is to provide a prototype that will enhance training and can be used as a shipboard refresher and retraining tool. The prototype system will be installed onboard ships where Navy personnel will have ready access to the training. The subsequent testing and evaluation of the prototype could provide the basismore » for a Navy-wide effort to implement computer aided instruction. The work to date has followed a rigorous structured analysis methodology based on the Yourdon/DeMarco techniques. A set of data flow diagrams and a data dictionary are included in the appendices. The problems encountered revolve around requirements to use existing hardware, software, and programmer capabilities for development, implementation, and maintenance of the instructional software. Solutions have been developed which will allow the software to exist in the given environment and still provide advanced features not available in commercial courses.« less

Computational Methods for Identification, Optimization and Control of PDE Systems

DTIC Science & Technology

2010-04-30

focused on the development of numerical methods and software specifically for the purpose of solving control, design, and optimization prob- lems where...that provide the foundations of simulation software must play an important role in any research of this type, the demands placed on numerical methods...y sus Aplicaciones , Ciudad de Cor- doba - Argentina, October 2007. 3. Inverse Problems in Deployable Space Structures, Fourth Conference on Inverse

Irregular Applications: Architectures & Algorithms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feo, John T.; Villa, Oreste; Tumeo, Antonino

Irregular applications are characterized by irregular data structures, control and communication patterns. Novel irregular high performance applications which deal with large data sets and require have recently appeared. Unfortunately, current high performance systems and software infrastructures executes irregular algorithms poorly. Only coordinated efforts by end user, area specialists and computer scientists that consider both the architecture and the software stack may be able to provide solutions to the challenges of modern irregular applications.

Simulation of a Canard in Fluid Flow Driven by a Piezoelectric Beam with a Software Control Loop

DTIC Science & Technology

2014-04-01

The canard is actuated by a piezoelectric beam that bends as voltage is applied. The voltage is controlled by a software subroutine that measures...Dynamic system Modeling Co-simulation Simulation Abaqus Finite element analysis (FEA) Finite element method (FEM) Computational...is unlimited. i CONTENTS Page Introduction 1 Model Description 1 Fluid Model 2 Structural Model 3 Control Subroutine 4 Results 4

ggCyto: Next Generation Open-Source Visualization Software for Cytometry.

PubMed

Van, Phu; Jiang, Wenxin; Gottardo, Raphael; Finak, Greg

2018-06-01

Open source software for computational cytometry has gained in popularity over the past few years. Efforts such as FlowCAP, the Lyoplate and Euroflow projects have highlighted the importance of efforts to standardize both experimental and computational aspects of cytometry data analysis. The R/BioConductor platform hosts the largest collection of open source cytometry software covering all aspects of data analysis and providing infrastructure to represent and analyze cytometry data with all relevant experimental, gating, and cell population annotations enabling fully reproducible data analysis. Data visualization frameworks to support this infrastructure have lagged behind. ggCyto is a new open-source BioConductor software package for cytometry data visualization built on ggplot2 that enables ggplot-like functionality with the core BioConductor flow cytometry data structures. Amongst its features are the ability to transform data and axes on-the-fly using cytometry-specific transformations, plot faceting by experimental meta-data variables, and partial matching of channel, marker and cell populations names to the contents of the BioConductor cytometry data structures. We demonstrate the salient features of the package using publicly available cytometry data with complete reproducible examples in a supplementary material vignette. https://bioconductor.org/packages/devel/bioc/html/ggcyto.html. gfinak@fredhutch.org. Supplementary data are available at Bioinformatics online and at http://rglab.org/ggcyto/.

Digital 3D Microstructure Analysis of Concrete using X-Ray Micro Computed Tomography SkyScan 1173: A Preliminary Study

NASA Astrophysics Data System (ADS)

Latief, F. D. E.; Mohammad, I. H.; Rarasati, A. D.

2017-11-01

Digital imaging of a concrete sample using high resolution tomographic imaging by means of X-Ray Micro Computed Tomography (μ-CT) has been conducted to assess the characteristic of the sample’s structure. A standard procedure of image acquisition, reconstruction, image processing of the method using a particular scanning device i.e., the Bruker SkyScan 1173 High Energy Micro-CT are elaborated. A qualitative and a quantitative analysis were briefly performed on the sample to deliver some basic ideas of the capability of the system and the bundled software package. Calculation of total VOI volume, object volume, percent of object volume, total VOI surface, object surface, object surface/volume ratio, object surface density, structure thickness, structure separation, total porosity were conducted and analysed. This paper should serve as a brief description of how the device can produce the preferred image quality as well as the ability of the bundled software packages to help in performing qualitative and quantitative analysis.

48 CFR 227.7203-11 - Contractor procedures and records.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Rights in Computer Software and Computer Software Documentation 227.7203-11 Contractor procedures and records. (a) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, requires a contractor, and its subcontractors or suppliers that will...

48 CFR 212.212 - Computer software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 48 Federal Acquisition Regulations System 3 2013-10-01 2013-10-01 false Computer software. 212.212... Acquisition of Commercial Items 212.212 Computer software. (1) Departments and agencies shall identify and... technology development), opportunities for the use of commercial computer software and other non...

48 CFR 227.7203-11 - Contractor procedures and records.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Rights in Computer Software and Computer Software Documentation 227.7203-11 Contractor procedures and records. (a) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, requires a contractor, and its subcontractors or suppliers that will...

48 CFR 212.212 - Computer software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 3 2011-10-01 2011-10-01 false Computer software. 212.212... Acquisition of Commercial Items 212.212 Computer software. (1) Departments and agencies shall identify and... technology development), opportunities for the use of commercial computer software and other non...

48 CFR 212.212 - Computer software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 3 2012-10-01 2012-10-01 false Computer software. 212.212... Acquisition of Commercial Items 212.212 Computer software. (1) Departments and agencies shall identify and... technology development), opportunities for the use of commercial computer software and other non...

48 CFR 212.212 - Computer software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false Computer software. 212.212... Acquisition of Commercial Items 212.212 Computer software. (1) Departments and agencies shall identify and... technology development), opportunities for the use of commercial computer software and other non...

48 CFR 212.212 - Computer software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 48 Federal Acquisition Regulations System 3 2014-10-01 2014-10-01 false Computer software. 212.212... Acquisition of Commercial Items 212.212 Computer software. (1) Departments and agencies shall identify and... technology development), opportunities for the use of commercial computer software and other non...

48 CFR 227.7203-11 - Contractor procedures and records.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Rights in Computer Software and Computer Software Documentation 227.7203-11 Contractor procedures and records. (a) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, requires a contractor, and its subcontractors or suppliers that will...

48 CFR 227.7203-11 - Contractor procedures and records.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Rights in Computer Software and Computer Software Documentation 227.7203-11 Contractor procedures and records. (a) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, requires a contractor, and its subcontractors or suppliers that will...

48 CFR 227.7203-11 - Contractor procedures and records.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Rights in Computer Software and Computer Software Documentation 227.7203-11 Contractor procedures and records. (a) The clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation, requires a contractor, and its subcontractors or suppliers that will...

Guidelines for development structured FORTRAN programs

NASA Technical Reports Server (NTRS)

Earnest, B. M.

1984-01-01

Computer programming and coding standards were compiled to serve as guidelines for the uniform writing of FORTRAN 77 programs at NASA Langley. Software development philosophy, documentation, general coding conventions, and specific FORTRAN coding constraints are discussed.

Development of a statewide landslide inventory program.

DOT National Transportation Integrated Search

2003-02-01

Development of a comprehensive geotechnical database for risk management of highway landslide problems is described. Computer software selected to program the client/server application in a data window, components and structure of the geotechnical da...

G-LoSA for Prediction of Protein-Ligand Binding Sites and Structures.

PubMed

Lee, Hui Sun; Im, Wonpil

2017-01-01

Recent advances in high-throughput structure determination and computational protein structure prediction have significantly enriched the universe of protein structure. However, there is still a large gap between the number of available protein structures and that of proteins with annotated function in high accuracy. Computational structure-based protein function prediction has emerged to reduce this knowledge gap. The identification of a ligand binding site and its structure is critical to the determination of a protein's molecular function. We present a computational methodology for predicting small molecule ligand binding site and ligand structure using G-LoSA, our protein local structure alignment and similarity measurement tool. All the computational procedures described here can be easily implemented using G-LoSA Toolkit, a package of standalone software programs and preprocessed PDB structure libraries. G-LoSA and G-LoSA Toolkit are freely available to academic users at http://compbio.lehigh.edu/GLoSA . We also illustrate a case study to show the potential of our template-based approach harnessing G-LoSA for protein function prediction.

Large-scale structural optimization

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, J.

1983-01-01

Problems encountered by aerospace designers in attempting to optimize whole aircraft are discussed, along with possible solutions. Large scale optimization, as opposed to component-by-component optimization, is hindered by computational costs, software inflexibility, concentration on a single, rather than trade-off, design methodology and the incompatibility of large-scale optimization with single program, single computer methods. The software problem can be approached by placing the full analysis outside of the optimization loop. Full analysis is then performed only periodically. Problem-dependent software can be removed from the generic code using a systems programming technique, and then embody the definitions of design variables, objective function and design constraints. Trade-off algorithms can be used at the design points to obtain quantitative answers. Finally, decomposing the large-scale problem into independent subproblems allows systematic optimization of the problems by an organization of people and machines.

High-throughput materials discovery and development: breakthroughs and challenges in the mapping of the materials genome

NASA Astrophysics Data System (ADS)

Buongiorno Nardelli, Marco

High-Throughput Quantum-Mechanics computation of materials properties by ab initio methods has become the foundation of an effective approach to materials design, discovery and characterization. This data driven approach to materials science currently presents the most promising path to the development of advanced technological materials that could solve or mitigate important social and economic challenges of the 21st century. In particular, the rapid proliferation of computational data on materials properties presents the possibility to complement and extend materials property databases where the experimental data is lacking and difficult to obtain. Enhanced repositories such as AFLOWLIB open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various properties. The practical realization of these opportunities depends almost exclusively on the the design of efficient algorithms for electronic structure simulations of realistic material systems beyond the limitations of the current standard theories. In this talk, I will review recent progress in theoretical and computational tools, and in particular, discuss the development and validation of novel functionals within Density Functional Theory and of local basis representations for effective ab-initio tight-binding schemes. Marco Buongiorno Nardelli is a pioneer in the development of computational platforms for theory/data/applications integration rooted in his profound and extensive expertise in the design of electronic structure codes and in his vision for sustainable and innovative software development for high-performance materials simulations. His research activities range from the design and discovery of novel materials for 21st century applications in renewable energy, environment, nano-electronics and devices, the development of advanced electronic structure theories and high-throughput techniques in materials genomics and computational materials design, to an active role as community scientific software developer (QUANTUM ESPRESSO, WanT, AFLOWpi)

Architecture and data processing alternatives for the TSE computer. Volume 3: Execution of a parallel counting algorithm using array logic (Tse) devices

NASA Technical Reports Server (NTRS)

Metcalfe, A. G.; Bodenheimer, R. E.

1976-01-01

A parallel algorithm for counting the number of logic-l elements in a binary array or image developed during preliminary investigation of the Tse concept is described. The counting algorithm is implemented using a basic combinational structure. Modifications which improve the efficiency of the basic structure are also presented. A programmable Tse computer structure is proposed, along with a hardware control unit, Tse instruction set, and software program for execution of the counting algorithm. Finally, a comparison is made between the different structures in terms of their more important characteristics.

Computer applications making rapid advances in high throughput microbial proteomics (HTMP).

PubMed

Anandkumar, Balakrishna; Haga, Steve W; Wu, Hui-Fen

2014-02-01

The last few decades have seen the rise of widely-available proteomics tools. From new data acquisition devices, such as MALDI-MS and 2DE to new database searching softwares, these new products have paved the way for high throughput microbial proteomics (HTMP). These tools are enabling researchers to gain new insights into microbial metabolism, and are opening up new areas of study, such as protein-protein interactions (interactomics) discovery. Computer software is a key part of these emerging fields. This current review considers: 1) software tools for identifying the proteome, such as MASCOT or PDQuest, 2) online databases of proteomes, such as SWISS-PROT, Proteome Web, or the Proteomics Facility of the Pathogen Functional Genomics Resource Center, and 3) software tools for applying proteomic data, such as PSI-BLAST or VESPA. These tools allow for research in network biology, protein identification, functional annotation, target identification/validation, protein expression, protein structural analysis, metabolic pathway engineering and drug discovery.

Identification of delaminations in composite: structural health monitoring software based on spectral estimation and hierarchical genetic algorithm

NASA Astrophysics Data System (ADS)

Nag, A.; Mahapatra, D. Roy; Gopalakrishnan, S.

2003-10-01

A hierarchical Genetic Algorithm (GA) is implemented in a high peformance spectral finite element software for identification of delaminations in laminated composite beams. In smart structural health monitoring, the number of delaminations (or any other modes of damage) as well as their locations and sizes are no way completely known. Only known are the healthy structural configuration (mass, stiffness and damping matrices updated from previous phases of monitoring), sensor measurements and some information about the load environment. To handle such enormous complexity, a hierarchical GA is used to represent heterogeneous population consisting of damaged structures with different number of delaminations and their evolution process to identify the correct damage configuration in the structures under monitoring. We consider this similarity with the evolution process in heterogeneous population of species in nature to develop an automated procedure to decide on what possible damaged configuration might have produced the deviation in the measured signals. Computational efficiency of the identification task is demonstrated by considering a single delamination. The behavior of fitness function in GA, which is an important factor for fast convergence, is studied for single and multiple delaminations. Several advantages of the approach in terms of computational cost is discussed. Beside tackling different other types of damage configurations, further scope of research for development of hybrid soft-computing modules are highlighted.

ULg Spectra: An Interactive Software Tool to Improve Undergraduate Students' Structural Analysis Skills

ERIC Educational Resources Information Center

Agnello, Armelinda; Carre, Cyril; Billen, Roland; Leyh, Bernard; De Pauw, Edwin; Damblon, Christian

2018-01-01

The analysis of spectroscopic data to solve chemical structures requires practical skills and drills. In this context, we have developed ULg Spectra, a computer-based tool designed to improve the ability of learners to perform complex reasoning. The identification of organic chemical compounds involves gathering and interpreting complementary…

Teacher's Corner: Structural Equation Modeling with the Sem Package in R

ERIC Educational Resources Information Center

Fox, John

2006-01-01

R is free, open-source, cooperatively developed software that implements the S statistical programming language and computing environment. The current capabilities of R are extensive, and it is in wide use, especially among statisticians. The sem package provides basic structural equation modeling facilities in R, including the ability to fit…

Using the [beta][subscript 2]-Adrenoceptor for Structure-Based Drug Design

ERIC Educational Resources Information Center

Manallack, David T.; Chalmers, David K.; Yuriev, Elizabeth

2010-01-01

The topics of molecular modeling and drug design are studied in a medicinal chemistry course. The recently reported structures of several G protein-coupled receptors (GPCR) with bound ligands have been used to develop a simple computer-based experiment employing molecular-modeling software. Knowledge of the specific interactions between a ligand…

High Performance Parallel Computational Nanotechnology

NASA Technical Reports Server (NTRS)

Saini, Subhash; Craw, James M. (Technical Monitor)

1995-01-01

At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.

Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure

NASA Astrophysics Data System (ADS)

Hu, Changjun; Bai, He; He, Xinfu; Zhang, Boyao; Nie, Ningming; Wang, Xianmeng; Ren, Yingwen

2017-02-01

Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster.

Coarse-Grained Structural Modeling of Molecular Motors Using Multibody Dynamics

PubMed Central

Parker, David; Bryant, Zev; Delp, Scott L.

2010-01-01

Experimental and computational approaches are needed to uncover the mechanisms by which molecular motors convert chemical energy into mechanical work. In this article, we describe methods and software to generate structurally realistic models of molecular motor conformations compatible with experimental data from different sources. Coarse-grained models of molecular structures are constructed by combining groups of atoms into a system of rigid bodies connected by joints. Contacts between rigid bodies enforce excluded volume constraints, and spring potentials model system elasticity. This simplified representation allows the conformations of complex molecular motors to be simulated interactively, providing a tool for hypothesis building and quantitative comparisons between models and experiments. In an example calculation, we have used the software to construct atomically detailed models of the myosin V molecular motor bound to its actin track. The software is available at www.simtk.org. PMID:20428469

Investigation of advancing front method for generating unstructured grid

NASA Technical Reports Server (NTRS)

Thomas, A. M.; Tiwari, S. N.

1992-01-01

The advancing front technique is used to generate an unstructured grid about simple aerodynamic geometries. Unstructured grids are generated using VGRID2D and VGRID3D software. Specific problems considered are a NACA 0012 airfoil, a bi-plane consisting of two NACA 0012 airfoil, a four element airfoil in its landing configuration, and an ONERA M6 wing. Inviscid time dependent solutions are computed on these geometries using USM3D and the results are compared with standard test results obtained by other investigators. A grid convergence study is conducted for the NACA 0012 airfoil and compared with a structured grid. A structured grid is generated using GRIDGEN software and inviscid solutions computed using CFL3D flow solver. The results obtained by unstructured grid for NACA 0012 airfoil showed an asymmetric distribution of flow quantities, and a fine distribution of grid was required to remove this asymmetry. On the other hand, the structured grid predicted a very symmetric distribution, but when the total number of points were compared to obtain the same results it was seen that structured grid required more grid points.

48 CFR 212.7003 - Technical data and computer software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... computer software. 212.7003 Section 212.7003 Federal Acquisition Regulations System DEFENSE ACQUISITION... data and computer software. For purposes of establishing delivery requirements and license rights for technical data under 227.7102 and for computer software under 227.7202, there shall be a rebuttable...

48 CFR 212.7003 - Technical data and computer software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... computer software. 212.7003 Section 212.7003 Federal Acquisition Regulations System DEFENSE ACQUISITION... data and computer software. For purposes of establishing delivery requirements and license rights for technical data under 227.7102 and for computer software under 227.7202, there shall be a rebuttable...

48 CFR 212.7003 - Technical data and computer software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... computer software. 212.7003 Section 212.7003 Federal Acquisition Regulations System DEFENSE ACQUISITION... data and computer software. For purposes of establishing delivery requirements and license rights for technical data under 227.7102 and for computer software under 227.7202, there shall be a rebuttable...

48 CFR 212.7003 - Technical data and computer software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... computer software. 212.7003 Section 212.7003 Federal Acquisition Regulations System DEFENSE ACQUISITION... data and computer software. For purposes of establishing delivery requirements and license rights for technical data under 227.7102 and for computer software under 227.7202, there shall be a rebuttable...

48 CFR 212.7003 - Technical data and computer software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... computer software. 212.7003 Section 212.7003 Federal Acquisition Regulations System DEFENSE ACQUISITION... data and computer software. For purposes of establishing delivery requirements and license rights for technical data under 227.7102 and for computer software under 227.7202, there shall be a rebuttable...

77 FR 50722 - Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-22

... NUCLEAR REGULATORY COMMISSION [NRC-2012-0195] Software Unit Testing for Digital Computer Software...) is issuing for public comment draft regulatory guide (DG), DG-1208, ``Software Unit Testing for Digital Computer Software used in Safety Systems of Nuclear Power Plants.'' The DG-1208 is proposed...

78 FR 47011 - Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-02

... NUCLEAR REGULATORY COMMISSION [NRC-2012-0195] Software Unit Testing for Digital Computer Software... revised regulatory guide (RG), revision 1 of RG 1.171, ``Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants.'' This RG endorses American National Standards...

48 CFR 227.7203-4 - License rights.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Software and Computer Software Documentation 227.7203-4 License rights. (a) Grant of license. The Government obtains rights in computer software or computer software documentation, including a copyright license, under an irrevocable license granted or obtained by the contractor which developed the software...

48 CFR 227.7203-4 - License rights.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Software and Computer Software Documentation 227.7203-4 License rights. (a) Grant of license. The Government obtains rights in computer software or computer software documentation, including a copyright license, under an irrevocable license granted or obtained by the contractor which developed the software...

48 CFR 227.7203-4 - License rights.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Software and Computer Software Documentation 227.7203-4 License rights. (a) Grant of license. The Government obtains rights in computer software or computer software documentation, including a copyright license, under an irrevocable license granted or obtained by the contractor which developed the software...

48 CFR 227.7203-4 - License rights.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Software and Computer Software Documentation 227.7203-4 License rights. (a) Grant of license. The Government obtains rights in computer software or computer software documentation, including a copyright license, under an irrevocable license granted or obtained by the contractor which developed the software...

48 CFR 227.7203-4 - License rights.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Software and Computer Software Documentation 227.7203-4 License rights. (a) Grant of license. The Government obtains rights in computer software or computer software documentation, including a copyright license, under an irrevocable license granted or obtained by the contractor which developed the software...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, M.; Kempner, L. Jr.; Mueller, W. III

The concept of an Expert System is not new. It has been around since the days of the early computers when scientists had dreams of robot automation to do everything from washing windows to automobile design. This paper discusses an application of an expert system and addresses software development issues and various levels of expert system development form a structural engineering viewpoint. An expert system designed to aid the structural engineer in first order inelastic analysis of latticed steel transmission powers is presented. The utilization of expert systems with large numerical analysis programs is discussed along with the software developmentmore » of such a system.« less

Towards Image Documentation of Grave Coverings and Epitaphs for Exhibition Purposes

NASA Astrophysics Data System (ADS)

Pomaska, G.; Dementiev, N.

2015-08-01

Epitaphs and memorials as immovable items in sacred spaces provide with their inscriptions valuable documents of history. Today not only photography or photos are suitable as presentation material for cultural assets in museums. Computer vision and photogrammetry provide methods for recording, 3D modelling, rendering under artificial light conditions as well as further options for analysis and investigation of artistry. For exhibition purposes epitaphs have been recorded by the structure from motion method. A comparison of different kinds of SFM software distributions could be worked out. The suitability of open source software in the mesh processing chain from modelling up to displaying on computer monitors should be answered. Raspberry Pi, a computer in SoC technology works as a media server under Linux applying Python scripts. Will the little computer meet the requirements for a museum and is the handling comfortable enough for staff and visitors? This contribution reports about the case study.

Configurable software for satellite graphics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hartzman, P D

An important goal in interactive computer graphics is to provide users with both quick system responses for basic graphics functions and enough computing power for complex calculations. One solution is to have a distributed graphics system in which a minicomputer and a powerful large computer share the work. The most versatile type of distributed system is an intelligent satellite system in which the minicomputer is programmable by the application user and can do most of the work while the large remote machine is used for difficult computations. At New York University, the hardware was configured from available equipment. The levelmore » of system intelligence resulted almost completely from software development. Unlike previous work with intelligent satellites, the resulting system had system control centered in the satellite. It also had the ability to reconfigure software during realtime operation. The design of the system was done at a very high level using set theoretic language. The specification clearly illustrated processor boundaries and interfaces. The high-level specification also produced a compact, machine-independent virtual graphics data structure for picture representation. The software was written in a systems implementation language; thus, only one set of programs was needed for both machines. A user can program both machines in a single language. Tests of the system with an application program indicate that is has very high potential. A major result of this work is the demonstration that a gigantic investment in new hardware is not necessary for computing facilities interested in graphics.« less

Contingency theoretic methodology for agent-based web-oriented manufacturing systems

NASA Astrophysics Data System (ADS)

Durrett, John R.; Burnell, Lisa J.; Priest, John W.

2000-12-01

The development of distributed, agent-based, web-oriented, N-tier Information Systems (IS) must be supported by a design methodology capable of responding to the convergence of shifts in business process design, organizational structure, computing, and telecommunications infrastructures. We introduce a contingency theoretic model for the use of open, ubiquitous software infrastructure in the design of flexible organizational IS. Our basic premise is that developers should change in the way they view the software design process from a view toward the solution of a problem to one of the dynamic creation of teams of software components. We postulate that developing effective, efficient, flexible, component-based distributed software requires reconceptualizing the current development model. The basic concepts of distributed software design are merged with the environment-causes-structure relationship from contingency theory; the task-uncertainty of organizational- information-processing relationships from information processing theory; and the concept of inter-process dependencies from coordination theory. Software processes are considered as employees, groups of processes as software teams, and distributed systems as software organizations. Design techniques already used in the design of flexible business processes and well researched in the domain of the organizational sciences are presented. Guidelines that can be utilized in the creation of component-based distributed software will be discussed.

Unit cell-based computer-aided manufacturing system for tissue engineering.

PubMed

Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo

2012-03-01

Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering.

48 CFR 227.7203-12 - Government right to establish conformity of markings.

Code of Federal Regulations, 2012 CFR

2012-10-01

..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-12... identified in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. All other markings are nonconforming markings. An authorized marking that...

48 CFR 227.7203-12 - Government right to establish conformity of markings.

Code of Federal Regulations, 2014 CFR

2014-10-01

..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-12... identified in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. All other markings are nonconforming markings. An authorized marking that...

48 CFR 227.7203-12 - Government right to establish conformity of markings.

Code of Federal Regulations, 2010 CFR

2010-10-01

..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-12... identified in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. All other markings are nonconforming markings. An authorized marking that...

48 CFR 227.7203-12 - Government right to establish conformity of markings.

Code of Federal Regulations, 2013 CFR

2013-10-01

..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-12... identified in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. All other markings are nonconforming markings. An authorized marking that...

48 CFR 227.7203-12 - Government right to establish conformity of markings.

Code of Federal Regulations, 2011 CFR

2011-10-01

..., DATA, AND COPYRIGHTS Rights in Computer Software and Computer Software Documentation 227.7203-12... identified in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. All other markings are nonconforming markings. An authorized marking that...

Low cost, high performance processing of single particle cryo-electron microscopy data in the cloud

PubMed Central

Cianfrocco, Michael A; Leschziner, Andres E

2015-01-01

The advent of a new generation of electron microscopes and direct electron detectors has realized the potential of single particle cryo-electron microscopy (cryo-EM) as a technique to generate high-resolution structures. Calculating these structures requires high performance computing clusters, a resource that may be limiting to many likely cryo-EM users. To address this limitation and facilitate the spread of cryo-EM, we developed a publicly available ‘off-the-shelf’ computing environment on Amazon's elastic cloud computing infrastructure. This environment provides users with single particle cryo-EM software packages and the ability to create computing clusters with 16–480+ CPUs. We tested our computing environment using a publicly available 80S yeast ribosome dataset and estimate that laboratories could determine high-resolution cryo-EM structures for $50 to $1500 per structure within a timeframe comparable to local clusters. Our analysis shows that Amazon's cloud computing environment may offer a viable computing environment for cryo-EM. DOI: http://dx.doi.org/10.7554/eLife.06664.001 PMID:25955969

EQS Goes R: Simulations for SEM Using the Package REQS

ERIC Educational Resources Information Center

Mair, Patrick; Wu, Eric; Bentler, Peter M.

2010-01-01

The REQS package is an interface between the R environment of statistical computing and the EQS software for structural equation modeling. The package consists of 3 main functions that read EQS script files and import the results into R, call EQS script files from R, and run EQS script files from R and import the results after EQS computations.…

Computer methods in designing tourist equipment for people with disabilities

NASA Astrophysics Data System (ADS)

Zuzda, Jolanta GraŻyna; Borkowski, Piotr; Popławska, Justyna; Latosiewicz, Robert; Moska, Eleonora

2017-11-01

Modern technologies enable disabled people to enjoy physical activity every day. Many new structures are matched individually and created for people who fancy active tourism, giving them wider opportunities for active pastime. The process of creating this type of devices in every stage, from initial design through assessment to validation, is assisted by various types of computer support software.

Modeling, Analysis, and Optimization Issues for Large Space Structures.

DTIC Science & Technology

1983-02-01

There are numerous opportunities - provided by new advances in computer hardware, firmware, software , CAD/CAM systems, computational algorithms and...Institute Department of Mechanical Engineering Dept. of Civil Engineering & Mechanics Troy, NY 12181 Drexel University Philadelphia, PA 19104 Dr...Mechanical Engineering Hampton, VA 23665 Washington, DC 20059 Dr. K. T. Alfriend Mr. Siva S. Banda Department of the Navy Flight Dynamics LaboratoryNaval

Exploring the Process of Adult Computer Software Training Using Andragogy, Situated Cognition, and a Minimalist Approach

ERIC Educational Resources Information Center

Hurt, Andrew C.

2007-01-01

With technology advances, computer software becomes increasingly difficult to learn. Adults often rely on software training to keep abreast of these changes. Instructor-led software training is frequently used to teach adults new software skills; however there is limited research regarding the best practices in adult computer software training.…

48 CFR 252.227-7032 - Rights in technical data and computer software (foreign).

Code of Federal Regulations, 2013 CFR

2013-10-01

... and computer software (foreign). 252.227-7032 Section 252.227-7032 Federal Acquisition Regulations... computer software (foreign). As prescribed in 227.7103-17, use the following clause: Rights in Technical Data and Computer Software (Foreign) (JUN 1975) The United States Government may duplicate, use, and...

48 CFR 252.227-7032 - Rights in technical data and computer software (foreign).

Code of Federal Regulations, 2014 CFR

2014-10-01

... and computer software (foreign). 252.227-7032 Section 252.227-7032 Federal Acquisition Regulations... computer software (foreign). As prescribed in 227.7103-17, use the following clause: Rights in Technical Data and Computer Software (Foreign) (JUN 1975) The United States Government may duplicate, use, and...

75 FR 6185 - Information Collection Requirement; Defense Federal Acquisition Regulation Supplement; Rights in...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-08

...; Defense Federal Acquisition Regulation Supplement; Rights in Technical Data and Computer Software (OMB... 227.72, Rights in Computer Software and Computer Software Documentation, and related provisions and... rights in technical data and computer software. DoD needs this information to implement 10 U.S.C. 2320...

14 CFR 415.123 - Computing systems and software.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 4 2013-01-01 2013-01-01 false Computing systems and software. 415.123... Launch Vehicle From a Non-Federal Launch Site § 415.123 Computing systems and software. (a) An applicant's safety review document must describe all computing systems and software that perform a safety...

14 CFR 415.123 - Computing systems and software.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 4 2014-01-01 2014-01-01 false Computing systems and software. 415.123... Launch Vehicle From a Non-Federal Launch Site § 415.123 Computing systems and software. (a) An applicant's safety review document must describe all computing systems and software that perform a safety...

48 CFR 252.227-7032 - Rights in technical data and computer software (foreign).

Code of Federal Regulations, 2011 CFR

2011-10-01

... and computer software (foreign). 252.227-7032 Section 252.227-7032 Federal Acquisition Regulations... computer software (foreign). As prescribed in 227.7103-17, use the following clause: Rights in Technical Data and Computer Software (Foreign) (JUN 1975) The United States Government may duplicate, use, and...

48 CFR 252.227-7032 - Rights in technical data and computer software (foreign).

Code of Federal Regulations, 2012 CFR

2012-10-01

... and computer software (foreign). 252.227-7032 Section 252.227-7032 Federal Acquisition Regulations... computer software (foreign). As prescribed in 227.7103-17, use the following clause: Rights in Technical Data and Computer Software (Foreign) (JUN 1975) The United States Government may duplicate, use, and...

48 CFR 252.227-7032 - Rights in technical data and computer software (foreign).

Code of Federal Regulations, 2010 CFR

2010-10-01

... and computer software (foreign). 252.227-7032 Section 252.227-7032 Federal Acquisition Regulations... computer software (foreign). As prescribed in 227.7103-17, use the following clause: Rights in Technical Data and Computer Software (Foreign) (JUN 1975) The United States Government may duplicate, use, and...

78 FR 30898 - Information Collection Requirement; Defense Federal Acquisition Regulation Supplement; Rights in...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-23

... Data and Computer Software AGENCY: Defense Acquisition Regulations System; Department of Defense (DoD... in Technical Data, and Subpart 227.72, Rights in Computer Software and Computer Software... are associated with rights in technical data and computer software. DoD needs this information to...

14 CFR 415.123 - Computing systems and software.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Computing systems and software. 415.123... Launch Vehicle From a Non-Federal Launch Site § 415.123 Computing systems and software. (a) An applicant's safety review document must describe all computing systems and software that perform a safety...

14 CFR 415.123 - Computing systems and software.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 4 2012-01-01 2012-01-01 false Computing systems and software. 415.123... Launch Vehicle From a Non-Federal Launch Site § 415.123 Computing systems and software. (a) An applicant's safety review document must describe all computing systems and software that perform a safety...

14 CFR 415.123 - Computing systems and software.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 4 2011-01-01 2011-01-01 false Computing systems and software. 415.123... Launch Vehicle From a Non-Federal Launch Site § 415.123 Computing systems and software. (a) An applicant's safety review document must describe all computing systems and software that perform a safety...

FAST Simulation Tool Containing Methods for Predicting the Dynamic Response of Wind Turbines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jonkman, Jason

2015-08-12

FAST is a simulation tool (computer software) for modeling tlie dynamic response of horizontal-axis wind turbines. FAST employs a combined modal and multibody structural-dynamics formulation in the time domain.

Historical review of computer-assisted cognitive retraining.

PubMed

Lynch, Bill

2002-10-01

This article details the introduction and development of the use of microcomputers as adjuncts to traditional cognitive rehabilitation of persons with acquired brain injury. The initial application of video games as therapeutic recreation in the late 1970s was soon followed in the early 1980s by the use of the first personal computers and available educational software. By the mid-1980s, both the IBM PC and Macintosh platforms were established, along with simplified programming languages that allowed individuals without extensive technical expertise to develop their own software. Several rehabilitation clinicians began to produce and market specially written cognitive retraining software for one or the other platform. Their work was detailed and reviewed, as was recently released software from commercial sources. The latter discussion included the latest developments in the rehabilitation applications of personal digital assistants and related organizing, reminding, and dictation devices. A summary of research on the general and specific efficacy of computer-assisted cognitive retraining illustrated the lingering controversy and skepticism that have been associated with this field since its inception. Computer-assisted cognitive retraining (CACR) can be an effective adjunct to a comprehensive program of cognitive rehabilitation. Training needs to be focused, structured, monitored, and as ecologically relevant as possible for optimum effect. Transfer or training or generalizability of skills remains a key issue in the field and should be considered the key criterion in evaluating whether to initiate or continue CACR.

PROVAT: a tool for Voronoi tessellation analysis of protein structures and complexes.

PubMed

Gore, Swanand P; Burke, David F; Blundell, Tom L

2005-08-01

Voronoi tessellation has proved to be a useful tool in protein structure analysis. We have developed PROVAT, a versatile public domain software that enables computation and visualization of Voronoi tessellations of proteins and protein complexes. It is a set of Python scripts that integrate freely available specialized software (Qhull, Pymol etc.) into a pipeline. The calculation component of the tool computes Voronoi tessellation of a given protein system in a way described by a user-supplied XML recipe and stores resulting neighbourhood information as text files with various styles. The Python pickle file generated in the process is used by the visualization component, a Pymol plug-in, that offers a GUI to explore the tessellation visually. PROVAT source code can be downloaded from http://raven.bioc.cam.ac.uk/~swanand/Provat1, which also provides a webserver for its calculation component, documentation and examples.

Integration of XNAT/PACS, DICOM, and Research Software for Automated Multi-modal Image Analysis.

PubMed

Gao, Yurui; Burns, Scott S; Lauzon, Carolyn B; Fong, Andrew E; James, Terry A; Lubar, Joel F; Thatcher, Robert W; Twillie, David A; Wirt, Michael D; Zola, Marc A; Logan, Bret W; Anderson, Adam W; Landman, Bennett A

2013-03-29

Traumatic brain injury (TBI) is an increasingly important public health concern. While there are several promising avenues of intervention, clinical assessments are relatively coarse and comparative quantitative analysis is an emerging field. Imaging data provide potentially useful information for evaluating TBI across functional, structural, and microstructural phenotypes. Integration and management of disparate data types are major obstacles. In a multi-institution collaboration, we are collecting electroencephalogy (EEG), structural MRI, diffusion tensor MRI (DTI), and single photon emission computed tomography (SPECT) from a large cohort of US Army service members exposed to mild or moderate TBI who are undergoing experimental treatment. We have constructed a robust informatics backbone for this project centered on the DICOM standard and eXtensible Neuroimaging Archive Toolkit (XNAT) server. Herein, we discuss (1) optimization of data transmission, validation and storage, (2) quality assurance and workflow management, and (3) integration of high performance computing with research software.

Integration of XNAT/PACS, DICOM, and research software for automated multi-modal image analysis

NASA Astrophysics Data System (ADS)

Gao, Yurui; Burns, Scott S.; Lauzon, Carolyn B.; Fong, Andrew E.; James, Terry A.; Lubar, Joel F.; Thatcher, Robert W.; Twillie, David A.; Wirt, Michael D.; Zola, Marc A.; Logan, Bret W.; Anderson, Adam W.; Landman, Bennett A.

2013-03-01

Traumatic brain injury (TBI) is an increasingly important public health concern. While there are several promising avenues of intervention, clinical assessments are relatively coarse and comparative quantitative analysis is an emerging field. Imaging data provide potentially useful information for evaluating TBI across functional, structural, and microstructural phenotypes. Integration and management of disparate data types are major obstacles. In a multi-institution collaboration, we are collecting electroencephalogy (EEG), structural MRI, diffusion tensor MRI (DTI), and single photon emission computed tomography (SPECT) from a large cohort of US Army service members exposed to mild or moderate TBI who are undergoing experimental treatment. We have constructed a robust informatics backbone for this project centered on the DICOM standard and eXtensible Neuroimaging Archive Toolkit (XNAT) server. Herein, we discuss (1) optimization of data transmission, validation and storage, (2) quality assurance and workflow management, and (3) integration of high performance computing with research software.

Integration of XNAT/PACS, DICOM, and Research Software for Automated Multi-modal Image Analysis

PubMed Central

Gao, Yurui; Burns, Scott S.; Lauzon, Carolyn B.; Fong, Andrew E.; James, Terry A.; Lubar, Joel F.; Thatcher, Robert W.; Twillie, David A.; Wirt, Michael D.; Zola, Marc A.; Logan, Bret W.; Anderson, Adam W.; Landman, Bennett A.

2013-01-01

Traumatic brain injury (TBI) is an increasingly important public health concern. While there are several promising avenues of intervention, clinical assessments are relatively coarse and comparative quantitative analysis is an emerging field. Imaging data provide potentially useful information for evaluating TBI across functional, structural, and microstructural phenotypes. Integration and management of disparate data types are major obstacles. In a multi-institution collaboration, we are collecting electroencephalogy (EEG), structural MRI, diffusion tensor MRI (DTI), and single photon emission computed tomography (SPECT) from a large cohort of US Army service members exposed to mild or moderate TBI who are undergoing experimental treatment. We have constructed a robust informatics backbone for this project centered on the DICOM standard and eXtensible Neuroimaging Archive Toolkit (XNAT) server. Herein, we discuss (1) optimization of data transmission, validation and storage, (2) quality assurance and workflow management, and (3) integration of high performance computing with research software. PMID:24386548

Drawing the PDB: Protein-Ligand Complexes in Two Dimensions.

PubMed

Stierand, Katrin; Rarey, Matthias

2010-12-09

The two-dimensional representation of molecules is a popular communication medium in chemistry and the associated scientific fields. Computational methods for drawing small molecules with and without manual investigation are well-established and widely spread in terms of numerous software tools. Concerning the planar depiction of molecular complexes, there is considerably less choice. We developed the software PoseView, which automatically generates two-dimensional diagrams of macromolecular complexes, showing the ligand, the interactions, and the interacting residues. All depicted molecules are drawn on an atomic level as structure diagrams; thus, the output plots are clearly structured and easily readable for the scientist. We tested the performance of PoseView in a large-scale application on nearly all druglike complexes of the PDB (approximately 200000 complexes); for more than 92% of the complexes considered for drawing, a layout could be computed. In the following, we will present the results of this application study.

An expert system for prediction of chemical toxicity

USGS Publications Warehouse

Hickey, James P.; Aldridge, Andrew J.; Passino-Reader, Dora R.; Frank, Anthony M.

1992-01-01

The National Fisheries Research Center- Great Lakes has developed an interactive computer program that uses the structure of an organic molecule to predict its acute toxicity to four aquatic species. The expert system software, written in the muLISP language, identifies the skeletal structures and substituent groups of an organic molecule from a user-supplied standard chemical notation known as a SMILES string, and then generates values for four solvatochromic parameters. Multiple regression equations relate these parameters to the toxicities (expressed as log10LC50s and log10EC50s, along with 95% confidence intervals) for four species. The system is demonstrated by prediction of toxicity for anilide-type pesticides to the fathead minnow (Pimephales promelas). This software is designed for use on an IBM-compatible personal computer by personnel with minimal toxicology background for rapid estimation of chemical toxicity. The system has numerous applications, with much potential for use in the pharmaceutical industry

ACTS: from ATLAS software towards a common track reconstruction software

NASA Astrophysics Data System (ADS)

Gumpert, C.; Salzburger, A.; Kiehn, M.; Hrdinka, J.; Calace, N.; ATLAS Collaboration

2017-10-01

Reconstruction of charged particles’ trajectories is a crucial task for most particle physics experiments. The high instantaneous luminosity achieved at the LHC leads to a high number of proton-proton collisions per bunch crossing, which has put the track reconstruction software of the LHC experiments through a thorough test. Preserving track reconstruction performance under increasingly difficult experimental conditions, while keeping the usage of computational resources at a reasonable level, is an inherent problem for many HEP experiments. Exploiting concurrent algorithms and using multivariate techniques for track identification are the primary strategies to achieve that goal. Starting from current ATLAS software, the ACTS project aims to encapsulate track reconstruction software into a generic, framework- and experiment-independent software package. It provides a set of high-level algorithms and data structures for performing track reconstruction tasks as well as fast track simulation. The software is developed with special emphasis on thread-safety to support parallel execution of the code and data structures are optimised for vectorisation to speed up linear algebra operations. The implementation is agnostic to the details of the detection technologies and magnetic field configuration which makes it applicable to many different experiments.

Advances and trends in structures and dynamics; Proceedings of the Symposium, Washington, DC, October 22-25, 1984

NASA Technical Reports Server (NTRS)

Noor, A. K. (Editor); Hayduk, R. J. (Editor)

1985-01-01

Among the topics discussed are developments in structural engineering hardware and software, computation for fracture mechanics, trends in numerical analysis and parallel algorithms, mechanics of materials, advances in finite element methods, composite materials and structures, determinations of random motion and dynamic response, optimization theory, automotive tire modeling methods and contact problems, the damping and control of aircraft structures, and advanced structural applications. Specific topics covered include structural design expert systems, the evaluation of finite element system architectures, systolic arrays for finite element analyses, nonlinear finite element computations, hierarchical boundary elements, adaptive substructuring techniques in elastoplastic finite element analyses, automatic tracking of crack propagation, a theory of rate-dependent plasticity, the torsional stability of nonlinear eccentric structures, a computation method for fluid-structure interaction, the seismic analysis of three-dimensional soil-structure interaction, a stress analysis for a composite sandwich panel, toughness criterion identification for unidirectional composite laminates, the modeling of submerged cable dynamics, and damping synthesis for flexible spacecraft structures.

CytoSpectre: a tool for spectral analysis of oriented structures on cellular and subcellular levels.

PubMed

Kartasalo, Kimmo; Pölönen, Risto-Pekka; Ojala, Marisa; Rasku, Jyrki; Lekkala, Jukka; Aalto-Setälä, Katriina; Kallio, Pasi

2015-10-26

Orientation and the degree of isotropy are important in many biological systems such as the sarcomeres of cardiomyocytes and other fibrillar structures of the cytoskeleton. Image based analysis of such structures is often limited to qualitative evaluation by human experts, hampering the throughput, repeatability and reliability of the analyses. Software tools are not readily available for this purpose and the existing methods typically rely at least partly on manual operation. We developed CytoSpectre, an automated tool based on spectral analysis, allowing the quantification of orientation and also size distributions of structures in microscopy images. CytoSpectre utilizes the Fourier transform to estimate the power spectrum of an image and based on the spectrum, computes parameter values describing, among others, the mean orientation, isotropy and size of target structures. The analysis can be further tuned to focus on targets of particular size at cellular or subcellular scales. The software can be operated via a graphical user interface without any programming expertise. We analyzed the performance of CytoSpectre by extensive simulations using artificial images, by benchmarking against FibrilTool and by comparisons with manual measurements performed for real images by a panel of human experts. The software was found to be tolerant against noise and blurring and superior to FibrilTool when analyzing realistic targets with degraded image quality. The analysis of real images indicated general good agreement between computational and manual results while also revealing notable expert-to-expert variation. Moreover, the experiment showed that CytoSpectre can handle images obtained of different cell types using different microscopy techniques. Finally, we studied the effect of mechanical stretching on cardiomyocytes to demonstrate the software in an actual experiment and observed changes in cellular orientation in response to stretching. CytoSpectre, a versatile, easy-to-use software tool for spectral analysis of microscopy images was developed. The tool is compatible with most 2D images and can be used to analyze targets at different scales. We expect the tool to be useful in diverse applications dealing with structures whose orientation and size distributions are of interest. While designed for the biological field, the software could also be useful in non-biological applications.

An analysis for high speed propeller-nacelle aerodynamic performance prediction. Volume 2: User's manual

NASA Technical Reports Server (NTRS)

Egolf, T. Alan; Anderson, Olof L.; Edwards, David E.; Landgrebe, Anton J.

1988-01-01

A user's manual for the computer program developed for the prediction of propeller-nacelle aerodynamic performance reported in, An Analysis for High Speed Propeller-Nacelle Aerodynamic Performance Prediction: Volume 1 -- Theory and Application, is presented. The manual describes the computer program mode of operation requirements, input structure, input data requirements and the program output. In addition, it provides the user with documentation of the internal program structure and the software used in the computer program as it relates to the theory presented in Volume 1. Sample input data setups are provided along with selected printout of the program output for one of the sample setups.

Physician use of updated anti-virus software in a tertiary Nigerian hospital.

PubMed

Laabes, E P; Nyango, D D; Ayedima, M M; Ladep, N G

2010-01-01

While physicians are becoming increasingly dependent on computers and the internet, highly lethal malware continue to be loaded into cyberspace. We sought to assess the proportion of physicians with updated anti-virus software in Jos University Teaching Hospital Nigeria and to determine perceived barriers to getting updates. We used a pre-tested semi-structured self-administered questionnaire to conduct a cross-sectional survey among 118 physicians. The mean age (+/- SD) of subjects was 34 (+/- 4) years, with 94 male and 24 female physicians. Forty-two (36.5%) of 115 physicians with anti-virus software used an updated program (95% Cl: 27, 45). The top-three antivirus software were: McAfee 40 (33.9%), AVG 37 (31.4%) and Norton 17 (14.4%). Common infections were: Trojan horse 22 (29.7%), Brontok worm 8 (10.8%), and Ravmonlog.exe 5 (6.8%). Internet browsing with a firewall was an independent determinant for use of updated anti-virus software [OR 4.3, 95% CI, 1.86, 10.02; P < 0.001]. Busy schedule, 40 (33.9%) and lack of credit card 39 (33.1%) were perceived barriers to updating antivirus software. The use of regularly updated anti-virus software is sub-optimal among physicians implying vulnerability to computer viruses. Physicians should be careful with flash drives and should avoid being victims of the raging arms race between malware producers and anti-virus software developers.

The STARLINK software collection

NASA Astrophysics Data System (ADS)

Penny, A. J.; Wallace, P. T.; Sherman, J. C.; Terret, D. L.

1993-12-01

A demonstration will be given of some recent Starlink software. STARLINK is: a network of computers used by UK astronomers; a collection of programs for the calibration and analysis of astronomical data; a team of people giving hardware, software and administrative support. The Starlink Project has been in operation since 1980 to provide UK astronomers with interactive image processing and data reduction facilities. There are now Starlink computer systems at 25 UK locations, serving about 1500 registered users. The Starlink software collection now has about 25 major packages covering a wide range of astronomical data reduction and analysis techniques, as well as many smaller programs and utilities. At the core of most of the packages is a common `software environment', which provides many of the functions which applications need and offers standardized methods of structuring and accessing data. The software environment simplifies programming and support, and makes it easy to use different packages for different stages of the data reduction. Users see a consistent style, and can mix applications without hitting problems of differing data formats. The Project group coordinates the writing and distribution of this software collection, which is Unix based. Outside the UK, Starlink is used at a large number of places, which range from installations at major UK telescopes, which are Starlink-compatible and managed like Starlink sites, to individuals who run only small parts of the Starlink software collection.

Better Finite-Element Analysis of Composite Shell Structures

NASA Technical Reports Server (NTRS)

Clarke, Gregory

2007-01-01

A computer program implements a finite-element-based method of predicting the deformations of thin aerospace structures made of isotropic materials or anisotropic fiber-reinforced composite materials. The technique and corresponding software are applicable to thin shell structures in general and are particularly useful for analysis of thin beamlike members having open cross-sections (e.g. I-beams and C-channels) in which significant warping can occur.

Eye/Brain/Task Testbed And Software

NASA Technical Reports Server (NTRS)

Janiszewski, Thomas; Mainland, Nora; Roden, Joseph C.; Rothenheber, Edward H.; Ryan, Arthur M.; Stokes, James M.

1994-01-01

Eye/brain/task (EBT) testbed records electroencephalograms, movements of eyes, and structures of tasks to provide comprehensive data on neurophysiological experiments. Intended to serve continuing effort to develop means for interactions between human brain waves and computers. Software library associated with testbed provides capabilities to recall collected data, to process data on movements of eyes, to correlate eye-movement data with electroencephalographic data, and to present data graphically. Cognitive processes investigated in ways not previously possible.

System Re-engineering Project Executive Summary

DTIC Science & Technology

1991-11-01

Management Information System (STAMIS) application. This project involved reverse engineering, evaluation of structured design and object-oriented design, and re- implementation of the system in Ada. This executive summary presents the approach to re-engineering the system, the lessons learned while going through the process, and issues to be considered in future tasks of this nature.... Computer-Aided Software Engineering (CASE), Distributed Software, Ada, COBOL, Systems Analysis, Systems Design, Life Cycle Development, Functional Decomposition, Object-Oriented

Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers.

PubMed

Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne

2018-01-01

State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems.

Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers

PubMed Central

Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne

2018-01-01

State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems. PMID:29503613

37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

Code of Federal Regulations, 2011 CFR

2011-07-01

... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... public domain computer software. (a) General. This section prescribes the procedures for submission of legal documents pertaining to computer shareware and the deposit of public domain computer software...

37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

Code of Federal Regulations, 2010 CFR

2010-07-01

... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... public domain computer software. (a) General. This section prescribes the procedures for submission of legal documents pertaining to computer shareware and the deposit of public domain computer software...

37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

Code of Federal Regulations, 2013 CFR

2013-07-01

... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... public domain computer software. (a) General. This section prescribes the procedures for submission of legal documents pertaining to computer shareware and the deposit of public domain computer software...

37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

Code of Federal Regulations, 2012 CFR

2012-07-01

... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... public domain computer software. (a) General. This section prescribes the procedures for submission of legal documents pertaining to computer shareware and the deposit of public domain computer software...

Software Development for a Three-Dimensional Gravity Inversion and Application to Study of the Border Ranges Fault System, South-Central Alaska

NASA Astrophysics Data System (ADS)

Cardenas, R.; Doser, D. I.; Baker, M. R.

2011-12-01

Summary The Border Ranges Fault (BRFS) system bounds the Cook Inlet and Susitna Basins, an important petroleum province within south-central Alaska. An initial research goal is to test several plausible models of structure along the Border Ranges Fault System by developing a novel, 3D inversion software package. The inversion utilizes gravity data constrained with geophysical, borehole, and surface geological information. The novel inversion approach involves directly modeling known geology, initially free-air corrected data, and revising a priori uncertainties on the geologic model to allow comparisons to alternative interpretations. This technique to evaluate 3D structure in regions of highly complex geology can be applied in other studies of energy resources. The software reads an ASCII text file containing the latitude, longitude, elevation, and Free Air anomalies of each gravity station as well as gridded surface files of known topology. The contributions of each node in the grid are computed in order to compare the theoretical gravity calculations from a forward model to the gravity observations. The computation of solutions to the "linearized" inversion yields a range of plausible densities. The user will have the option of varying body proportions and dimensions to compare variations in density for changing depths of the gridded surface. Introduction Previous modeling of the BRFS using geophysical data has been limited due to the complexity of local geology and structure, both of shallow crustal features and the deeper subduction zone. Since the inversion is based on a sequence of gridded surfaces, it is feasible to develop software to help build these gridded geologic models. Without a way to modify grid surface elevations, density, and magnetic susceptibility in real time, the inversion process for the geologist would be highly nonlinear and poorly constrained, especially in structural geology this complex. Without a basic understanding of the geometry of the BRFS, its role in the formation and petroleum generation processes of the upper Cook Inlet and Susitna Basins is poorly understood. Model Generation The gravitational contributions are computed using a geophysics formulation, namely the vertical line element. g = πR2Gρ(x2+y2+z2)-1/2 Each line element is semi-infinite and extends from the top to the bottom of each structural layer. The user may define a three-dimensional body at a location on the surface. Each vertex of the body will be represented as separate nodes in the grid. The contribution of the body to the gravity value will be computed as a volume integral and added to the overall gravity contributions of other nodes on the surface. The user will also be able to modify the elevation and density of the defined body in real time. The most noted effectiveness of the software is in the user-defined a priori information facilitating real time interpretations and the computational efficiency of the model solution by using vertical line elements to address structural bodies with complex geometry.

The process group approach to reliable distributed computing

NASA Technical Reports Server (NTRS)

Birman, Kenneth P.

1992-01-01

The difficulty of developing reliable distribution software is an impediment to applying distributed computing technology in many settings. Experience with the ISIS system suggests that a structured approach based on virtually synchronous process groups yields systems that are substantially easier to develop, exploit sophisticated forms of cooperative computation, and achieve high reliability. Six years of research on ISIS, describing the model, its implementation challenges, and the types of applications to which ISIS has been applied are reviewed.

The Structure of the Computer Industry

DTIC Science & Technology

1992-03-01

the user and written for pay by employees . The entry of computing power into mass markets and the emergence of the software industry in the late 1970s...use of improper means, there would be difficulties in acquiring the information.. .Protection is not based on a policy of rewarding or otherwise 74...2). In the computer industry, the most frequently litigated trade secret case occurs when an employee who has access to an employer’s trade secrets

Specialized computer system to diagnose critical lined equipment

NASA Astrophysics Data System (ADS)

Yemelyanov, V. A.; Yemelyanova, N. Y.; Morozova, O. A.; Nedelkin, A. A.

2018-05-01

The paper presents data on the problem of diagnosing the lining condition at the iron and steel works. The authors propose and describe the structure of the specialized computer system to diagnose critical lined equipment. The relative results of diagnosing lining condition by the basic system and the proposed specialized computer system are presented. To automate evaluation of lining condition and support in making decisions regarding the operation mode of the lined equipment, the specialized software has been developed.

78 FR 47804 - Verification, Validation, Reviews, and Audits for Digital Computer Software Used in Safety...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-06

..., ``Configuration Management Plans for Digital Computer Software used in Safety Systems of Nuclear Power Plants... Digital Computer Software Used in Safety Systems of Nuclear Power Plants AGENCY: Nuclear Regulatory..., Reviews, and Audits for Digital Computer Software Used in Safety Systems of Nuclear Power Plants.'' This...

48 CFR 27.404-2 - Limited rights data and restricted computer software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... restricted computer software. 27.404-2 Section 27.404-2 Federal Acquisition Regulations System FEDERAL... Copyrights 27.404-2 Limited rights data and restricted computer software. (a) General. The basic clause at 52... restricted computer software by withholding the data from the Government and instead delivering form, fit...

48 CFR 252.227-7026 - Deferred delivery of technical data or computer software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... technical data or computer software. 252.227-7026 Section 252.227-7026 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(a), use the following clause: Deferred Delivery of Technical Data or Computer Software (APR 1988) The Government shall have the right to require, at...

48 CFR 27.404-2 - Limited rights data and restricted computer software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... restricted computer software. 27.404-2 Section 27.404-2 Federal Acquisition Regulations System FEDERAL... Copyrights 27.404-2 Limited rights data and restricted computer software. (a) General. The basic clause at 52... restricted computer software by withholding the data from the Government and instead delivering form, fit...

48 CFR 52.227-15 - Representation of Limited Rights Data and Restricted Computer Software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Rights Data and Restricted Computer Software. 52.227-15 Section 52.227-15 Federal Acquisition Regulations... Computer Software. As prescribed in 27.409(c), insert the following provision: Representation of Limited Rights Data and Restricted Computer Software (DEC 2007) (a) This solicitation sets forth the Government's...

48 CFR 252.227-7025 - Limitations on the use or disclosure of government-furnished information marked with restrictive...

Code of Federal Regulations, 2011 CFR

2011-10-01

... contracts in which the Government will furnish the Contractor with computer software or computer software... rights” are defined in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. (3) For Small Business Innovation Research program contracts, the...

48 CFR 27.404-2 - Limited rights data and restricted computer software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... restricted computer software. 27.404-2 Section 27.404-2 Federal Acquisition Regulations System FEDERAL... Copyrights 27.404-2 Limited rights data and restricted computer software. (a) General. The basic clause at 52... restricted computer software by withholding the data from the Government and instead delivering form, fit...

48 CFR 52.227-15 - Representation of Limited Rights Data and Restricted Computer Software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Rights Data and Restricted Computer Software. 52.227-15 Section 52.227-15 Federal Acquisition Regulations... Computer Software. As prescribed in 27.409(c), insert the following provision: Representation of Limited Rights Data and Restricted Computer Software (DEC 2007) (a) This solicitation sets forth the Government's...

48 CFR 252.227-7019 - Validation of asserted restrictions-Computer software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... restrictions-Computer software. 252.227-7019 Section 252.227-7019 Federal Acquisition Regulations System...—Computer software. As prescribed in 227.7104(e)(3) or 227.7203-6(c), use the following clause: Validation of Asserted Restrictions—Computer Software (JUN 1995) (a) Definitions. (1) As used in this clause...

48 CFR 52.227-15 - Representation of Limited Rights Data and Restricted Computer Software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Rights Data and Restricted Computer Software. 52.227-15 Section 52.227-15 Federal Acquisition Regulations... Computer Software. As prescribed in 27.409(c), insert the following provision: Representation of Limited Rights Data and Restricted Computer Software (DEC 2007) (a) This solicitation sets forth the Government's...

48 CFR 252.227-7019 - Validation of asserted restrictions-Computer software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... restrictions-Computer software. 252.227-7019 Section 252.227-7019 Federal Acquisition Regulations System...—Computer software. As prescribed in 227.7104(e)(3) or 227.7203-6(c), use the following clause: Validation of Asserted Restrictions—Computer Software (SEP 2011) (a) Definitions. (1) As used in this clause...

48 CFR 252.227-7026 - Deferred delivery of technical data or computer software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... technical data or computer software. 252.227-7026 Section 252.227-7026 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(a), use the following clause: Deferred Delivery of Technical Data or Computer Software (APR 1988) The Government shall have the right to require, at...

48 CFR 252.227-7025 - Limitations on the Use or Disclosure of Government-Furnished Information Marked with Restrictive...

Code of Federal Regulations, 2013 CFR

2013-10-01

... contracts in which the Government will furnish the Contractor with computer software or computer software... rights” are defined in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. (3) For Small Business Innovation Research program contracts, the...

48 CFR 252.227-7019 - Validation of asserted restrictions-Computer software.

Code of Federal Regulations, 2012 CFR

2012-10-01

... restrictions-Computer software. 252.227-7019 Section 252.227-7019 Federal Acquisition Regulations System...—Computer software. As prescribed in 227.7104(e)(3) or 227.7203-6(c), use the following clause: Validation of Asserted Restrictions—Computer Software (SEP 2011) (a) Definitions. (1) As used in this clause...

48 CFR 52.227-15 - Representation of Limited Rights Data and Restricted Computer Software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Rights Data and Restricted Computer Software. 52.227-15 Section 52.227-15 Federal Acquisition Regulations... Computer Software. As prescribed in 27.409(c), insert the following provision: Representation of Limited Rights Data and Restricted Computer Software (DEC 2007) (a) This solicitation sets forth the Government's...

48 CFR 27.404-2 - Limited rights data and restricted computer software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... restricted computer software. 27.404-2 Section 27.404-2 Federal Acquisition Regulations System FEDERAL... Copyrights 27.404-2 Limited rights data and restricted computer software. (a) General. The basic clause at 52... restricted computer software by withholding the data from the Government and instead delivering form, fit...

48 CFR 52.227-15 - Representation of Limited Rights Data and Restricted Computer Software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Rights Data and Restricted Computer Software. 52.227-15 Section 52.227-15 Federal Acquisition Regulations... Computer Software. As prescribed in 27.409(c), insert the following provision: Representation of Limited Rights Data and Restricted Computer Software (DEC 2007) (a) This solicitation sets forth the Government's...

48 CFR 252.227-7026 - Deferred delivery of technical data or computer software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... technical data or computer software. 252.227-7026 Section 252.227-7026 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(a), use the following clause: Deferred Delivery of Technical Data or Computer Software (APR 1988) The Government shall have the right to require, at...

48 CFR 252.227-7025 - Limitations on the use or disclosure of government-furnished information marked with restrictive...

Code of Federal Regulations, 2012 CFR

2012-10-01

... contracts in which the Government will furnish the Contractor with computer software or computer software... rights” are defined in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. (3) For Small Business Innovation Research program contracts, the...

48 CFR 252.227-7019 - Validation of asserted restrictions-Computer software.

Code of Federal Regulations, 2014 CFR

2014-10-01

... restrictions-Computer software. 252.227-7019 Section 252.227-7019 Federal Acquisition Regulations System...—Computer software. As prescribed in 227.7104(e)(3) or 227.7203-6(c), use the following clause: Validation of Asserted Restrictions—Computer Software (SEP 2011) (a) Definitions. (1) As used in this clause...

48 CFR 252.227-7026 - Deferred delivery of technical data or computer software.

Code of Federal Regulations, 2011 CFR

2011-10-01

... technical data or computer software. 252.227-7026 Section 252.227-7026 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(a), use the following clause: Deferred Delivery of Technical Data or Computer Software (APR 1988) The Government shall have the right to require, at...

48 CFR 252.227-7025 - Limitations on the Use or Disclosure of Government-Furnished Information Marked with Restrictive...

Code of Federal Regulations, 2014 CFR

2014-10-01

... contracts in which the Government will furnish the Contractor with computer software or computer software... rights” are defined in the clause at 252.227-7014, Rights in Noncommercial Computer Software and Noncommercial Computer Software Documentation. (3) For Small Business Innovation Research program contracts, the...

48 CFR 252.227-7019 - Validation of asserted restrictions-Computer software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... restrictions-Computer software. 252.227-7019 Section 252.227-7019 Federal Acquisition Regulations System...—Computer software. As prescribed in 227.7104(e)(3) or 227.7203-6(c), use the following clause: Validation of Asserted Restrictions—Computer Software (SEP 2011) (a) Definitions. (1) As used in this clause...

48 CFR 252.227-7026 - Deferred delivery of technical data or computer software.

Code of Federal Regulations, 2013 CFR

2013-10-01

... technical data or computer software. 252.227-7026 Section 252.227-7026 Federal Acquisition Regulations... data or computer software. As prescribed at 227.7103-8(a), use the following clause: Deferred Delivery of Technical Data or Computer Software (APR 1988) The Government shall have the right to require, at...

48 CFR 27.404-2 - Limited rights data and restricted computer software.

Code of Federal Regulations, 2010 CFR

2010-10-01

... restricted computer software. 27.404-2 Section 27.404-2 Federal Acquisition Regulations System FEDERAL... Copyrights 27.404-2 Limited rights data and restricted computer software. (a) General. The basic clause at 52... restricted computer software by withholding the data from the Government and instead delivering form, fit...

3D reconstruction software comparison for short sequences

NASA Astrophysics Data System (ADS)

Strupczewski, Adam; Czupryński, BłaŻej

2014-11-01

Large scale multiview reconstruction is recently a very popular area of research. There are many open source tools that can be downloaded and run on a personal computer. However, there are few, if any, comparisons between all the available software in terms of accuracy on small datasets that a single user can create. The typical datasets for testing of the software are archeological sites or cities, comprising thousands of images. This paper presents a comparison of currently available open source multiview reconstruction software for small datasets. It also compares the open source solutions with a simple structure from motion pipeline developed by the authors from scratch with the use of OpenCV and Eigen libraries.

The Regulation of Medical Computer Software as a “Device” under the Food, Drug, and Cosmetic Act

PubMed Central

Brannigan, Vincent

1986-01-01

Recent developments in computer software have raised the possibility that federal regulators may claim to control medical computer software as a “device” under the Food, Drug and Cosmetic Act. The purpose of this paper is to analyze the FDCA to determine whether computer software is included in the statutory scheme, examine constitutional arguments relating to computer software, and discuss regulatory principles that should be taken into account when deciding appropriate regulation. This paper is limited to computer program output used by humans in deciding appropriate medical therapy for a patient.

Flexible Software Architecture for Visualization and Seismic Data Analysis

NASA Astrophysics Data System (ADS)

Petunin, S.; Pavlov, I.; Mogilenskikh, D.; Podzyuban, D.; Arkhipov, A.; Baturuin, N.; Lisin, A.; Smith, A.; Rivers, W.; Harben, P.

2007-12-01

Research in the field of seismology requires software and signal processing utilities for seismogram manipulation and analysis. Seismologists and data analysts often encounter a major problem in the use of any particular software application specific to seismic data analysis: the tuning of commands and windows to the specific waveforms and hot key combinations so as to fit their familiar informational environment. The ability to modify the user's interface independently from the developer requires an adaptive code structure. An adaptive code structure also allows for expansion of software capabilities such as new signal processing modules and implementation of more efficient algorithms. Our approach is to use a flexible "open" architecture for development of geophysical software. This report presents an integrated solution for organizing a logical software architecture based on the Unix version of the Geotool software implemented on the Microsoft NET 2.0 platform. Selection of this platform greatly expands the variety and number of computers that can implement the software, including laptops that can be utilized in field conditions. It also facilitates implementation of communication functions for seismic data requests from remote databases through the Internet. The main principle of the new architecture for Geotool is that scientists should be able to add new routines for digital waveform analysis via software plug-ins that utilize the basic Geotool display for GUI interaction. The use of plug-ins allows the efficient integration of diverse signal-processing software, including software still in preliminary development, into an organized platform without changing the fundamental structure of that platform itself. An analyst's use of Geotool is tracked via a metadata file so that future studies can reconstruct, and alter, the original signal processing operations. The work has been completed in the framework of a joint Russian- American project.

Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants

DOE PAGES

McCann, Billy W.; Silva, Nuwan De; Windus, Theresa L.; ...

2016-02-17

Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper presents a computational approach to the deliberate design of bis-phosphine oxide host architectures that are structurally organized for complexation of trivalent lanthanides. Molecule building software, HostDesigner, was interfaced with molecular mechanics software, PCModel, providing a tool for generating and screening millions of potential R 2(O)P-link-P(O)R 2 ligand geometries. The molecular mechanics ranking of ligand structures is consistent with both the solution-phase free energies of complexation obtained with density functional theorymore » and the performance of known bis-phosphine oxide extractants. For the case where link is -CH 2-, evaluation of the ligand geometry provides the first characterization of a steric origin for the ‘anomalous aryl strengthening’ effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples.« less

A dictionary based informational genome analysis

PubMed Central

2012-01-01

Background In the post-genomic era several methods of computational genomics are emerging to understand how the whole information is structured within genomes. Literature of last five years accounts for several alignment-free methods, arisen as alternative metrics for dissimilarity of biological sequences. Among the others, recent approaches are based on empirical frequencies of DNA k-mers in whole genomes. Results Any set of words (factors) occurring in a genome provides a genomic dictionary. About sixty genomes were analyzed by means of informational indexes based on genomic dictionaries, where a systemic view replaces a local sequence analysis. A software prototype applying a methodology here outlined carried out some computations on genomic data. We computed informational indexes, built the genomic dictionaries with different sizes, along with frequency distributions. The software performed three main tasks: computation of informational indexes, storage of these in a database, index analysis and visualization. The validation was done by investigating genomes of various organisms. A systematic analysis of genomic repeats of several lengths, which is of vivid interest in biology (for example to compute excessively represented functional sequences, such as promoters), was discussed, and suggested a method to define synthetic genetic networks. Conclusions We introduced a methodology based on dictionaries, and an efficient motif-finding software application for comparative genomics. This approach could be extended along many investigation lines, namely exported in other contexts of computational genomics, as a basis for discrimination of genomic pathologies. PMID:22985068

CRYSNET manual. Informal report. [Hardware and software of crystallographic computing network

DOE Office of Scientific and Technical Information (OSTI.GOV)

None,

1976-07-01

This manual describes the hardware and software which together make up the crystallographic computing network (CRYSNET). The manual is intended as a users' guide and also provides general information for persons without any experience with the system. CRYSNET is a network of intelligent remote graphics terminals that are used to communicate with the CDC Cyber 70/76 computing system at the Brookhaven National Laboratory (BNL) Central Scientific Computing Facility. Terminals are in active use by four research groups in the field of crystallography. A protein data bank has been established at BNL to store in machine-readable form atomic coordinates and othermore » crystallographic data for macromolecules. The bank currently includes data for more than 20 proteins. This structural information can be accessed at BNL directly by the CRYSNET graphics terminals. More than two years of experience has been accumulated with CRYSNET. During this period, it has been demonstrated that the terminals, which provide access to a large, fast third-generation computer, plus stand-alone interactive graphics capability, are useful for computations in crystallography, and in a variety of other applications as well. The terminal hardware, the actual operations of the terminals, and the operations of the BNL Central Facility are described in some detail, and documentation of the terminal and central-site software is given. (RWR)« less

A Computational Workflow for the Automated Generation of Models of Genetic Designs.

PubMed

Misirli, Göksel; Nguyen, Tramy; McLaughlin, James Alastair; Vaidyanathan, Prashant; Jones, Timothy S; Densmore, Douglas; Myers, Chris; Wipat, Anil

2018-06-05

Computational models are essential to engineer predictable biological systems and to scale up this process for complex systems. Computational modeling often requires expert knowledge and data to build models. Clearly, manual creation of models is not scalable for large designs. Despite several automated model construction approaches, computational methodologies to bridge knowledge in design repositories and the process of creating computational models have still not been established. This paper describes a workflow for automatic generation of computational models of genetic circuits from data stored in design repositories using existing standards. This workflow leverages the software tool SBOLDesigner to build structural models that are then enriched by the Virtual Parts Repository API using Systems Biology Open Language (SBOL) data fetched from the SynBioHub design repository. The iBioSim software tool is then utilized to convert this SBOL description into a computational model encoded using the Systems Biology Markup Language (SBML). Finally, this SBML model can be simulated using a variety of methods. This workflow provides synthetic biologists with easy to use tools to create predictable biological systems, hiding away the complexity of building computational models. This approach can further be incorporated into other computational workflows for design automation.

Ensuring Positiveness of the Scaled Difference Chi-square Test Statistic.

PubMed

Satorra, Albert; Bentler, Peter M

2010-06-01

A scaled difference test statistic [Formula: see text] that can be computed from standard software of structural equation models (SEM) by hand calculations was proposed in Satorra and Bentler (2001). The statistic [Formula: see text] is asymptotically equivalent to the scaled difference test statistic T̄(d) introduced in Satorra (2000), which requires more involved computations beyond standard output of SEM software. The test statistic [Formula: see text] has been widely used in practice, but in some applications it is negative due to negativity of its associated scaling correction. Using the implicit function theorem, this note develops an improved scaling correction leading to a new scaled difference statistic T̄(d) that avoids negative chi-square values.

Simulation of blast action on civil structures using ANSYS Autodyn

NASA Astrophysics Data System (ADS)

Fedorova, N. N.; Valger, S. A.; Fedorov, A. V.

2016-10-01

The paper presents the results of 3D numerical simulations of shock wave spreading in cityscape area. ANSYS Autodyne software is used for the computations. Different test cases are investigated numerically. On the basis of the computations, the complex transient flowfield structure formed in the vicinity of prismatic bodies was obtained and analyzed. The simulation results have been compared to the experimental data. The ability of two numerical schemes is studied to correctly predict the pressure history in several gauges placed on walls of the obstacles.

Development of optimized techniques and requirements for computer enhancement of structural weld radiographs. Volume 1: Technical report

NASA Technical Reports Server (NTRS)

Adams, J. R.; Hawley, S. W.; Peterson, G. R.; Salinger, S. S.; Workman, R. A.

1971-01-01

A hardware and software specification covering requirements for the computer enhancement of structural weld radiographs was considered. Three scanning systems were used to digitize more than 15 weld radiographs. The performance of these systems was evaluated by determining modulation transfer functions and noise characteristics. Enhancement techniques were developed and applied to the digitized radiographs. The scanning parameters of spot size and spacing and film density were studied to optimize the information content of the digital representation of the image.

From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library.

PubMed

Bietz, Stefan; Inhester, Therese; Lauck, Florian; Sommer, Kai; von Behren, Mathias M; Fährrolfes, Rainer; Flachsenberg, Florian; Meyder, Agnes; Nittinger, Eva; Otto, Thomas; Hilbig, Matthias; Schomburg, Karen T; Volkamer, Andrea; Rarey, Matthias

2017-11-10

Nowadays, computational approaches are an integral part of life science research. Problems related to interpretation of experimental results, data analysis, or visualization tasks highly benefit from the achievements of the digital era. Simulation methods facilitate predictions of physicochemical properties and can assist in understanding macromolecular phenomena. Here, we will give an overview of the methods developed in our group that aim at supporting researchers from all life science areas. Based on state-of-the-art approaches from structural bioinformatics and cheminformatics, we provide software covering a wide range of research questions. Our all-in-one web service platform ProteinsPlus (http://proteins.plus) offers solutions for pocket and druggability prediction, hydrogen placement, structure quality assessment, ensemble generation, protein-protein interaction classification, and 2D-interaction visualization. Additionally, we provide a software package that contains tools targeting cheminformatics problems like file format conversion, molecule data set processing, SMARTS editing, fragment space enumeration, and ligand-based virtual screening. Furthermore, it also includes structural bioinformatics solutions for inverse screening, binding site alignment, and searching interaction patterns across structure libraries. The software package is available at http://software.zbh.uni-hamburg.de. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

48 CFR 352.227-14 - Rights in Data-Exceptional Circumstances.

Code of Federal Regulations, 2014 CFR

2014-10-01

....] Computer database or database means a collection of recorded information in a form capable of, and for the... databases or computer software documentation. Computer software documentation means owner's manuals, user's... nature (including computer databases and computer software documentation). This term does not include...

48 CFR 227.7203-5 - Government rights.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Software and Computer Software Documentation 227.7203-5 Government rights. The standard license rights in computer software that a licensor grants to the Government are unlimited rights, government purpose rights, or restricted rights. The standard license in computer software documentation conveys unlimited...

48 CFR 227.7203-5 - Government rights.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Software and Computer Software Documentation 227.7203-5 Government rights. The standard license rights in computer software that a licensor grants to the Government are unlimited rights, government purpose rights, or restricted rights. The standard license in computer software documentation conveys unlimited...

48 CFR 227.7203-5 - Government rights.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Software and Computer Software Documentation 227.7203-5 Government rights. The standard license rights in computer software that a licensor grants to the Government are unlimited rights, government purpose rights, or restricted rights. The standard license in computer software documentation conveys unlimited...

48 CFR 227.7203-5 - Government rights.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Software and Computer Software Documentation 227.7203-5 Government rights. The standard license rights in computer software that a licensor grants to the Government are unlimited rights, government purpose rights, or restricted rights. The standard license in computer software documentation conveys unlimited...

48 CFR 227.7203-5 - Government rights.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Software and Computer Software Documentation 227.7203-5 Government rights. The standard license rights in computer software that a licensor grants to the Government are unlimited rights, government purpose rights, or restricted rights. The standard license in computer software documentation conveys unlimited...

Structural Performance’s Optimally Analysing and Implementing Based on ANSYS Technology

NASA Astrophysics Data System (ADS)

Han, Na; Wang, Xuquan; Yue, Haifang; Sun, Jiandong; Wu, Yongchun

2017-06-01

Computer-aided Engineering (CAE) is a hotspot both in academic field and in modern engineering practice. Analysis System(ANSYS) simulation software for its excellent performance become outstanding one in CAE family, it is committed to the innovation of engineering simulation to help users to shorten the design process, improve product innovation and performance. Aimed to explore a structural performance’s optimally analyzing model for engineering enterprises, this paper introduced CAE and its development, analyzed the necessity for structural optimal analysis as well as the framework of structural optimal analysis on ANSYS Technology, used ANSYS to implement a reinforced concrete slab structural performance’s optimal analysis, which was display the chart of displacement vector and the chart of stress intensity. Finally, this paper compared ANSYS software simulation results with the measured results,expounded that ANSYS is indispensable engineering calculation tools.

F-Nets and Software Cabling: Deriving a Formal Model and Language for Portable Parallel Programming

NASA Technical Reports Server (NTRS)

DiNucci, David C.; Saini, Subhash (Technical Monitor)

1998-01-01

Parallel programming is still being based upon antiquated sequence-based definitions of the terms "algorithm" and "computation", resulting in programs which are architecture dependent and difficult to design and analyze. By focusing on obstacles inherent in existing practice, a more portable model is derived here, which is then formalized into a model called Soviets which utilizes a combination of imperative and functional styles. This formalization suggests more general notions of algorithm and computation, as well as insights into the meaning of structured programming in a parallel setting. To illustrate how these principles can be applied, a very-high-level graphical architecture-independent parallel language, called Software Cabling, is described, with many of the features normally expected from today's computer languages (e.g. data abstraction, data parallelism, and object-based programming constructs).

Stream Processors

NASA Astrophysics Data System (ADS)

Erez, Mattan; Dally, William J.

Stream processors, like other multi core architectures partition their functional units and storage into multiple processing elements. In contrast to typical architectures, which contain symmetric general-purpose cores and a cache hierarchy, stream processors have a significantly leaner design. Stream processors are specifically designed for the stream execution model, in which applications have large amounts of explicit parallel computation, structured and predictable control, and memory accesses that can be performed at a coarse granularity. Applications in the streaming model are expressed in a gather-compute-scatter form, yielding programs with explicit control over transferring data to and from on-chip memory. Relying on these characteristics, which are common to many media processing and scientific computing applications, stream architectures redefine the boundary between software and hardware responsibilities with software bearing much of the complexity required to manage concurrency, locality, and latency tolerance. Thus, stream processors have minimal control consisting of fetching medium- and coarse-grained instructions and executing them directly on the many ALUs. Moreover, the on-chip storage hierarchy of stream processors is under explicit software control, as is all communication, eliminating the need for complex reactive hardware mechanisms.