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At least 91 records · Page 5

eSHAFTS: Integrated and graphical drug design software based on 3D molecular similarity

With the development of computer technology, computer‐aided drug design (CADD) has become an important means for drug research and development, and its representative method is virtual screening. Various virtual screening platforms have emerged in an endless stream and play great roles in the field of drug discovery. With the increasing number of compound molecules, virtual screening platforms face two challenges: low fluency and low visibility of software operations. In this article, we present an integrated and graphical drug design software eSHAFTS based on three‐dimensional (3D) molecular similarity to overcome these shortcomings. Compared with other software, eSHAFTS has four main advantages, which are integrated molecular editing and drawing, interactive loading and analysis of proteins, multithread and multimode 3D molecular similarity calculation, and multidimensional information visualization. Experiments have verified its convenience, usability, and reliability. By using eSHAFTS, various tasks can be submitted and visualized in one desktop software without locally installing any dependent plug‐ins or software. The software installation package can be downloaded for free at http://lilab.ecust.edu.cn/home/resource.html . © 2019 Wiley Periodicals, Inc.

He, Gaoqi↗

Executive system software design and expert system implementation

The topics are presented in viewgraph form and include: software requirements; design layout of the automated assembly system; menu display for automated composite command; expert system features; complete robot arm state diagram and logic; and expert system benefits.

Cheryl L Allen↗

The dividends of investing in computational software design: A case study

A significant fraction of computational software for scientific research grows through accretion. In a common scenario, a small group develops a code for a specific purpose. Others find the software useful, so they add to it for their own use. The software grows to the point where its management becomes intractable and scientific results obtained from it become unreliable. This is in stark contrast with a small number of scientific codes that have undergone a design process, be it due to an upfront investment, or when haphazardly grown codes have reset and started again. At a minimum, these codes reduce the time to obtain research results for the communities they serve because individual researchers do not have to develop their own codes. They provide further benefits; the results they produce are more reproducible due to greater scrutiny, leading to better science. One of the more overlooked benefits, which is perhaps of greater significance, is that a well-designed code can expand to serve communities beyond the ones it was designed for. Thus, research communities with similar computational requirements can symbiotically improve computation-based research for each other. In this article, we present a case study of FLASH, a code that was designed and developed for simulating thermonuclear runaways such as novae and type Ia supernovae in astrophysics. Designed to be modular and extensible, users from several diverse research areas have added capabilities to it and adapted it for their own communities. Examples include cosmology, high-energy density physics, core-collapse supernovae, star formation, fluid–structure interactions, and chemical combustion. We give a summary of design features that facilitated the expansion and quantify the effort needed to expand into some of the above-mentioned fields. We also quantify the impact on different communities by mining the database of publications using FLASH, collected by its developers.

97 MATHEMATICS AND COMPUTING↗

Flight Software Design and On-orbit Maintenance

This viewgraph presentation discusses the maintenance of flight software (FSW) on-orbit and the design of that software to allow maintenance of programs while they are on orbit.

Calder, Alexander C.↗

Software design and documentation language

A communications medium to support the design and documentation of complex software applications is studied. The medium also provides the following: (1) a processor which can convert design specifications into an intelligible, informative machine reproducible document; (2) a design and documentation language with forms and syntax that are simple, unrestrictive, and communicative; and (3) methodology for effective use of the language and processor.

Kleine, H.↗

Managing Software Design and Design Changes

Microprocessor-based system for document production work scheduling, and change control and management information aids in design, development, and control of software. Main components Z80 microprocessor, floppydisk and hard-disk drives, and a character printer. System linked to large computer. Major software components are control program monitor (CP/M), text-editing and wordprocessing system, workbreakdown-schedule processor, and data-base management tool.

Loesh, R. E.↗

Automating software design system DESTA

'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.

Lovitsky, Vladimir A.↗

Aviation Design Software

DARcorporation developed a General Aviation CAD package through a Small Business Innovation Research contract from Langley Research Center. This affordable, user-friendly preliminary design system for General Aviation aircraft runs on the popular 486 IBM-compatible personal computers. Individuals taking the home-built approach, small manufacturers of General Aviation airplanes, as well as students and others interested in the analysis and design of aircraft are possible users of the package. The software can cut design and development time in half.

Source record↗

AirSTAR Hardware and Software Design for Beyond Visual Range Flight Research

The National Aeronautics and Space Administration (NASA) Airborne Subscale Transport Aircraft Research (AirSTAR) Unmanned Aerial System (UAS) is a facility developed to study the flight dynamics of vehicles in emergency conditions, in support of aviation safety research. The system was upgraded to have its operational range significantly expanded, going beyond the line of sight of a ground-based pilot. A redesign of the airborne flight hardware was undertaken, as well as significant changes to the software base, in order to provide appropriate autonomous behavior in response to a number of potential failures and hazards. Ground hardware and system monitors were also upgraded to include redundant communication links, including ADS-B based position displays and an independent flight termination system. The design included both custom and commercially available avionics, combined to allow flexibility in flight experiment design while still benefiting from tested configurations in reversionary flight modes. A similar hierarchy was employed in the software architecture, to allow research codes to be tested, with a fallback to more thoroughly validated flight controls. As a remotely piloted facility, ground systems were also developed to ensure the flight modes and system state were communicated to ground operations personnel in real-time. Presented in this paper is a general overview of the concept of operations for beyond visual range flight, and a detailed review of the airborne hardware and software design. This discussion is held in the context of the safety and procedural requirements that drove many of the design decisions for the AirSTAR UAS Beyond Visual Range capability.

Laughter, Sean↗

Methodology for object-oriented real-time systems analysis and design: Software engineering

Successful application of software engineering methodologies requires an integrated analysis and design life-cycle in which the various phases flow smoothly 'seamlessly' from analysis through design to implementation. Furthermore, different analysis methodologies often lead to different structuring of the system so that the transition from analysis to design may be awkward depending on the design methodology to be used. This is especially important when object-oriented programming is to be used for implementation when the original specification and perhaps high-level design is non-object oriented. Two approaches to real-time systems analysis which can lead to an object-oriented design are contrasted: (1) modeling the system using structured analysis with real-time extensions which emphasizes data and control flows followed by the abstraction of objects where the operations or methods of the objects correspond to processes in the data flow diagrams and then design in terms of these objects; and (2) modeling the system from the beginning as a set of naturally occurring concurrent entities (objects) each having its own time-behavior defined by a set of states and state-transition rules and seamlessly transforming the analysis models into high-level design models. A new concept of a 'real-time systems-analysis object' is introduced and becomes the basic building block of a series of seamlessly-connected models which progress from the object-oriented real-time systems analysis and design system analysis logical models through the physical architectural models and the high-level design stages. The methodology is appropriate to the overall specification including hardware and software modules. In software modules, the systems analysis objects are transformed into software objects.

Schoeffler, James D.↗

The Software Design for the Wide-Field Infrared Explorer Attitude Control System

The Wide-Field Infrared Explorer (WIRE), currently scheduled for launch in September 1998, is the fifth of five spacecraft in the NASA/Goddard Small Explorer (SMEX) series. This paper presents the design of WIRE's Attitude Control System flight software (ACS FSW). WIRE is a momentum-biased, three-axis stabilized stellar pointer which provides high-accuracy pointing and autonomous acquisition for eight to ten stellar targets per orbit. WIRE's short mission life and limited cryogen supply motivate requirements for Sun and Earth avoidance constraints which are designed to prevent catastrophic instrument damage and to minimize the heat load on the cryostat. The FSW implements autonomous fault detection and handling (FDH) to enforce these instrument constraints and to perform several other checks which insure the safety of the spacecraft. The ACS FSW implements modules for sensor data processing, attitude determination, attitude control, guide star acquisition, actuator command generation, command/telemetry processing, and FDH. These software components are integrated with a hierarchical control mode managing module that dictates which software components are currently active. The lowest mode in the hierarchy is the 'safest' one, in the sense that it utilizes a minimal complement of sensors and actuators to keep the spacecraft in a stable configuration (power and pointing constraints are maintained). As higher modes in the hierarchy are achieved, the various software functions are activated by the mode manager, and an increasing level of attitude control accuracy is provided. If FDH detects a constraint violation or other anomaly, it triggers a safing transition to a lower control mode. The WIRE ACS FSW satisfies all target acquisition and pointing accuracy requirements, enforces all pointing constraints, provides the ground with a simple means for reconfiguring the system via table load, and meets all the demands of its real-time embedded environment (16 MHz Intel 80386 processor with 80387 coprocessor running under the VRTX operating system). The mode manager organizes and controls all the software modules used to accomplish these goals, and in particular, the FDH module is tightly coupled with the mode manager.

Anderson, Mark O.↗

Structural Analysis and Design Software

Collier Research and Development Corporation received a one-of-a-kind computer code for designing exotic hypersonic aircraft called ST-SIZE in the first ever Langley Research Center software copyright license agreement. Collier transformed the NASA computer code into a commercial software package called HyperSizer, which integrates with other Finite Element Modeling and Finite Analysis private-sector structural analysis program. ST-SIZE was chiefly conceived as a means to improve and speed the structural design of a future aerospace plane for Langley Hypersonic Vehicles Office. Including the NASA computer code into HyperSizer has enabled the company to also apply the software to applications other than aerospace, including improved design and construction for offices, marine structures, cargo containers, commercial and military aircraft, rail cars, and a host of everyday consumer products.

Source record↗

Software Design Methodology Migration for a Distributed Ground System

The Marshall Space Flight Center's (MSFC) Payload Operations Center (POC) ground system has been developed and has evolved over a period of about 10 years. During this time the software processes have migrated from more traditional to more contemporary development processes. The new Software processes still emphasize requirements capture, software configuration management, design documenting, and making sure the products that have been developed are accountable to initial requirements. This paper will give an overview of how the Software Process have evolved highlighting the positives as well as the negatives. In addition, we will mention the COTS tools that have been integrated into the processes and how the COTS have provided value to the project .

Ritter, George↗

Choosing a software design method for real-time Ada applications: JSD process inversion as a means to tailor a design specification to the performance requirements and target machine

The validity of real-time software is determined by its ability to execute on a computer within the time constraints of the physical system it is modeling. In many applications the time constraints are so critical that the details of process scheduling are elevated to the requirements analysis phase of the software development cycle. It is not uncommon to find specifications for a real-time cyclic executive program included to assumed in such requirements. It was found that prelininary designs structured around this implementation abscure the data flow of the real world system that is modeled and that it is consequently difficult and costly to maintain, update and reuse the resulting software. A cyclic executive is a software component that schedules and implicitly synchronizes the real-time software through periodic and repetitive subroutine calls. Therefore a design method is sought that allows the deferral of process scheduling to the later stages of design. The appropriate scheduling paradigm must be chosen given the performance constraints, the largest environment and the software's lifecycle. The concept of process inversion is explored with respect to the cyclic executive.

Withey, James V.↗

State criminal justice telecommunications (STACOM). Volume 4: Network design software user's guide

A user's guide to the network design program is presented. The program is written in FORTRAN V and implemented on a UNIVAC 1108 computer under the EXEC-8 operating system which enables the user to construct least-cost network topologies for criminal justice digital telecommunications networks. A complete description of program features, inputs, processing logic, and outputs is presented, and a sample run and a program listing are included.

Lee, J. J.↗