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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

BMC Caller: a webtool to identify and analyze bacterial microcompartment types in sequence data

Bacterial microcompartments (BMCs) are protein-based organelles found across the bacterial tree of life. They consist of a shell, made of proteins that oligomerize into hexagonally and pentagonally shaped building blocks, that surrounds enzymes constituting a segment of a metabolic pathway. The proteins of the shell are unique to BMCs. They also provide selective permeability; this selectivity is dictated by the requirements of their cargo enzymes. We have recently surveyed the wealth of different BMC types and their occurrence in all available genome sequence data by analyzing and categorizing their components found in chromosomal loci using HMM (Hidden Markov Model) protein profiles. To make this a “do-it yourself” analysis for the public we have devised a webserver, BMC Caller (https://bmc-caller.prl.msu.edu), that compares user input sequences to our HMM profiles, creates a BMC locus visualization, and defines the functional type of BMC, if known. Shell proteins in the input sequence data are also classified according to our function-agnostic naming system and there are links to similar proteins in our database as well as an external link to a structure prediction website to easily generate structural models of the shell proteins, which facilitates understanding permeability properties of the shell. Additionally, the BMC Caller website contains a wealth of information on previously analyzed BMC loci with links to detailed data for each BMC protein and phylogenetic information on the BMC shell proteins. Our tools greatly facilitate BMC type identification to provide the user information about the associated organism’s metabolism and enable discovery of new BMC types by providing a reference database of all currently known examples.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2005

Data-Driven Software Framework for Web-Based ISS Telescience

Software that enables authorized users to monitor and control scientific payloads aboard the International Space Station (ISS) from diverse terrestrial locations equipped with Internet connections is undergoing development. This software reflects a data-driven approach to distributed operations. A Web-based software framework leverages prior developments in Java and Extensible Markup Language (XML) to create portable code and portable data, to which one can gain access via Web-browser software on almost any common computer. Open-source software is used extensively to minimize cost; the framework also accommodates enterprise-class server software to satisfy needs for high performance and security. To accommodate the diversity of ISS experiments and users, the framework emphasizes openness and extensibility. Users can take advantage of available viewer software to create their own client programs according to their particular preferences, and can upload these programs for custom processing of data, generation of views, and planning of experiments. The same software system, possibly augmented with a subset of data and additional software tools, could be used for public outreach by enabling public users to replay telescience experiments, conduct their experiments with simulated payloads, and create their own client programs and other custom software.

Tso, Kam S.↗
DOE OSTI2023

Levelized Cost of Avoided CO2 tool (LCAC tool) v0.9

The levelized cost of avoided CO2 (LCAC) tool facilitates techno-economic calculations for various decarbonization technologies. It comprises two components to accomplish this: an input workbook based on MS Excel and a web-based output tool. The workbook acts as the input sheet, using the user-provided decarbonization measures and their impacts on lifetime energy consumption, energy costs, and CO2 emissions to compute LCAC (expressed in $/metric ton of avoided CO2). The workbook is uploaded to a web-based tool to generate an LCAC curve. This graphical representation illustrates the economic comparison of all decarbonization measures for purposes such as implementation prioritization. We are unaware of any publicly available tools with similar capabilities.

Ali Qamar, Muhammad↗
DOE OSTI2021

Asc-Seurat: analytical single-cell Seurat-based web application

Abstract Background Single-cell RNA sequencing (scRNA-seq) has revolutionized the study of transcriptomes, arising as a powerful tool for discovering and characterizing cell types and their developmental trajectories. However, scRNA-seq analysis is complex, requiring a continuous, iterative process to refine the data and uncover relevant biological information. A diversity of tools has been developed to address the multiple aspects of scRNA-seq data analysis. However, an easy-to-use web application capable of conducting all critical steps of scRNA-seq data analysis is still lacking. Summary We present Asc-Seurat, a feature-rich workbench, providing an user-friendly and easy-to-install web application encapsulating tools for an all-encompassing and fluid scRNA-seq data analysis. Asc-Seurat implements functions from the Seurat package for quality control, clustering, and genes differential expression. In addition, Asc-Seurat provides a pseudotime module containing dozens of models for the trajectory inference and a functional annotation module that allows recovering gene annotation and detecting gene ontology enriched terms. We showcase Asc-Seurat’s capabilities by analyzing a peripheral blood mononuclear cell dataset. Conclusions Asc-Seurat is a comprehensive workbench providing an accessible graphical interface for scRNA-seq analysis by biologists. Asc-Seurat significantly reduces the time and effort required to analyze and interpret the information in scRNA-seq datasets.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

PDQ Users Manual Version 1 for PDQ Code Version 1.12

PDQ is a tool for the management of the input and execution of batch jobs for simulation codes that use a text based input system. It accomplishes this goal by operating at two levels. First, it takes input file templates (commonly known at LANL as input deck templates) and creates multiple instantiations by performing substitutions of data from table files into symbols (variables) found in the template. Second, it provides commands to submit the created files to the SLURM batch system for execution. These two activities taken together produce a whole that is greater than the sum of its parts and provides an elegant way of executing studies across multiple similar simulations while minimizing the risk of typographical errors in the input files.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

UQTk Version 3.1.1 User Manual

The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 3.1.1 offers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sensitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

UQTk Version 3.1.2 User Manual

The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 3.1.2 offers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sensitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Analytic Patch Configuration (APC) gateway version 1.0 user's guide

The Analytic Patch Configuration (APC) is an interactive software tool which translates aircraft configuration geometry files from one format into another. This initial release of the APC Gateway accommodates six formats: the four accepted APC formats (89f, 89fd, 89u, and 89ud), the PATRAN 2.x phase 1 neutral file format, and the Integrated Aerodynamic Analysis System (IAAS) General Geometry (GG) format. Written in ANSI FORTRAN 77 and completely self-contained, the APC Gateway is very portable and was already installed on CDC/NOS, VAX/VMS, SUN, SGI/IRIS, CONVEX, and GRAY hosts.

Bingel, Bradford D.↗
NASA NTRS2016

Making Interoperability Easier with NASA's Metadata Management Tool (MMT)

While the ISO-19115 collection level metadata format meets many users' needs for interoperable metadata, it can be cumbersome to create it correctly. Through the MMT's simple UI experience, metadata curators can create and edit collections which are compliant with ISO-19115 without full knowledge of the NASA Best Practices implementation of ISO-19115 format. Users are guided through the metadata creation process through a forms-based editor, complete with field information, validation hints and picklists. Once a record is completed, users can download the metadata in any of the supported formats with just 2 clicks.

metadata quality↗
DOE OSTI2022

MOOSE Reactor Module Meshing Enhancements to Support Reactor Physics Analysis

The U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program develops an integrated suite of advanced reactor physics tools built upon the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Each code generally requires an input finite element mesh on which the physics solution is calculated, reported, and transferred to other physics codes. The meshing process is often burdensome for the complex geometries present in reactors due to lack of easy-to-use, open-source meshing tools. To address the bottleneck associated with meshing complex geometries found in nuclear reactors, NEAMS initiated the development of the MOOSE Reactor Module starting in FY21. The Reactor Module builds off the existing MOOSE Mesh System to include targeted meshing capabilities such as the ability to generate hexagonal pin cells, assemblies with ducts, rotating control drums, cores, peripheral zones around a core, as well as the automatic labeling (“reporting IDs”) of pin, assembly, and planar zones to simplify post-processing of results. As a Physics Module in MOOSE, the Reactor Module is open-source, available with any MOOSE installation, directly compatible with MOOSE-based tools, and can be invoked from MOOSEbased applications to generate meshes. Functionality from the Reactor Module has been applied to several advanced reactor concepts to demonstrate user workflow improvements and accuracy. The primary objective of the Reactor Module is to improve useability of MOOSEbased tools by streamlining mesh generation and output inspection processes. During FY22, the functionality of the Reactor Module (and accompanying Mesh System) has been expanded based on user needs. First, the Reactor Geometry Mesh Builder capability developed primarily in FY21 has been refactored and merged to the public MOOSE repository. This capability wraps underlying Reactor Module mesh generators into a “Pin – Assembly – Core” workflow appropriate for conventional Cartesian and hexagonal geometries, and notably assigns material IDs during mesh generation stage and generates only the minimal number of blocks needed in order to reduce computational burden. Biasing and boundary layer options have been added to the base mesh generators as required by thermal hydraulics solvers. The reporting ID functionality has been expanded to differentiate ring-wise and azimuthal sectors within a pin for use with depletion algorithms, and VectorPostProcessor and Reporter objects are now available to integrate solution variables across zones based on ID combinations. Functionality to trim hexagonal meshes along the center or periphery has been developed so users may leverage symmetry and reflective boundary conditions to reduce the mesh size. A flexible and powerful tool to fill the space between two sidesets has been introduced to the framework and can be used for transition layers such as stitching two assemblies together with different numbers of pins, or for complex geometries which do not follow conventional Cartesian/hexagonal patterns. Finally, additional verification problems were performed with NEAMS physics tools in complement with existing NEAMS work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRSDate not supplied

Capturing and Analyzing Requirements with FRET

FRET is an open source tool, developed at NASA Ames, for writing, understanding, formalizing, and analyzing requirements. In practice, requirements are typically written in natural language, which is ambiguous and consequently not amenable to formal analysis. Since formal, mathematical notations are unintuitive, requirements in FRET are entered in a restricted, natural language, called FRETish with precise unambiguous meaning. FRET helps users write FRETish requirements both by providing grammar information and examples during editing, but also through English and diagrammatic explanations to clarify subtle semantic issues. For each requirement, FRET automatically produces formalizations and supports interactive simulation of produced formalizations to ensure that they capture user intentions. Through its analysis portal, FRET connects to analysis tools by exporting verification code. Currently FRET connects to (1) the CoCoSim automated analysis tool for the verification of Simulink and Stateflow models, and (2) the Copilot runtime monitoring tool for the analysis of C programs. FRET also supports the consistency/realizability analysis of requirements for identifying conflicting requirements. In this tutorial, we introduce FRET and learn to speak and analyze FRETish through several examples.

FRET↗
NASA NTRS2011

Visual PEF Reader - VIPER

This software graphically displays all pertinent information from a Predicted Events File (PEF) using the Java Swing framework, which allows for multi-platform support. The PEF is hard to weed through when looking for specific information and it is a desire for the MRO (Mars Reconn aissance Orbiter) Mission Planning & Sequencing Team (MPST) to have a different way to visualize the data. This tool will provide the team with a visual way of reviewing and error-checking the sequence product. The front end of the tool contains much of the aesthetically appealing material for viewing. The time stamp is displayed in the top left corner, and highlighted details are displayed in the bottom left corner. The time bar stretches along the top of the window, and the rest of the space is allotted for blocks and step functions. A preferences window is used to control the layout of the sections along with the ability to choose color and size of the blocks. Double-clicking on a block will show information contained within the block. Zooming into a certain level will graphically display that information as an overlay on the block itself. Other functions include using hotkeys to navigate, an option to jump to a specific time, enabling a vertical line, and double-clicking to zoom in/out. The back end involves a configuration file that allows a more experienced user to pre-define the structure of a block, a single event, or a step function. The individual will have to determine what information is important within each block and what actually defines the beginning and end of a block. This gives the user much more flexibility in terms of what the tool is searching for. In addition to the configurability, all the settings in the preferences window are saved in the configuration file as well

Luo, Victor↗
NASA NTRSDate not supplied

REACTER: A Versatile Tool for Large-Scale Reactive Molecular Dynamics

Accurately describing reactive events over long length and time scales remains a grand challenge of computational materials science. REACTER is a general protocol for modeling chemical reactions using classical force fields, and is implemented in the popular molecular dynamics software LAMMPS. REACTER has a growing user base and has been used as a model-building tool for a variety of materials, including thermoplastics, thermosets, glassy materials and composites. The method has also been applied to accelerated modeling of reversible chemical reactions, such as the formation of electrochemical components for batteries. Recently, the REACTER protocol has received some major upgrades to enhance its ability to predict when reactions occur and to make it easier to use. Force field parameters can now be automatically assigned to newly created bonds, angles and other interactions. Advanced reaction constraints have also been added, including an Arrhenius constraint to enforce an effective activation energy, a root-mean-square-deviation option for complex geometrical constraints, and a constraint based on the total potential energy of the atoms involved in a reactive site. This potential energy constraint allows for the accurate reproduction of DFT-based tight-binding (DFTB3) predicted bond dissociation curves for mechanically induced bond breaking.

polymer simulations, molecular dynamics↗
NASA NTRS1994

Structural/aerodynamic Blade Analyzer (SAB) User's Guide, Version 1.0

The structural/aerodynamic blade (SAB) analyzer provides an automated tool for the static-deflection analysis of turbomachinery blades with aerodynamic and rotational loads. A structural code calculates a deflected blade shape using aerodynamic loads input. An aerodynamic solver computes aerodynamic loads using deflected blade shape input. The two programs are iterated automatically until deflections converge. Currently, SAB version 1.0 is interfaced with MSC/NASTRAN to perform the structural analysis and PROP3D to perform the aerodynamic analysis. This document serves as a guide for the operation of the SAB system with specific emphasis on its use at NASA Lewis Research Center (LeRC). This guide consists of six chapters: an introduction which gives a summary of SAB; SAB's methodology, component files, links, and interfaces; input/output file structure; setup and execution of the SAB files on the Cray computers; hints and tips to advise the user; and an example problem demonstrating the SAB process. In addition, four appendices are presented to define the different computer programs used within the SAB analyzer and describe the required input decks.

Morel, M. R.↗
NASA NTRS1994

Customizing the JPL Multimission Ground Data System: Lessons learned

The Multimission Ground Data System (MGDS) at NASA's Jet Propulsion Laboratory has brought improvements and new technologies to mission operations. It was designed as a generic data system to meet the needs of multiple missions and avoid re-inventing capabilities for each new mission and thus reduce costs. It is based on adaptable tools that can be customized to support different missions and operations scenarios. The MGDS is based on a distributed client/server architecture, with powerful Unix workstations, incorporating standards and open system architectures. The distributed architecture allows remote operations and user science data exchange, while also providing capabilities for centralized ground system monitor and control. The MGDS has proved its capabilities in supporting multiple large-class missions simultaneously, including the Voyager, Galileo, Magellan, Ulysses, and Mars Observer missions. The Operations Engineering Lab (OEL) at JPL has been leading Customer Adaptation Training (CAT) teams for adapting and customizing MGDS for the various operations and engineering teams. These CAT teams have typically consisted of only a few engineers who are familiar with operations and with the MGDS software and architecture. Our experience has provided a unique opportunity to work directly with the spacecraft and instrument operations teams and understand their requirements and how the MGDS can be adapted and customized to minimize their operations costs. As part of this work, we have developed workstation configurations, automation tools, and integrated user interfaces at minimal cost that have significantly improved productivity. We have also proved that these customized data systems are most successful if they are focused on the people and the tasks they perform and if they are based upon user confidence in the development team resulting from daily interactions. This paper will describe lessons learned in adapting JPL's MGDS to fly the Voyager, Galileo, and Mars Observer missions. We will explain how powerful, existing ground data systems can be adapted and packaged in a cost effective way for operations of small and large planetary missions. We will also describe how the MGDS was adapted to support operations within the Galileo Spacecraft Testbed. The Galileo testbed provided a unique opportunity to adapt MGDS to support command and control operations for a small autonomous operations team of a handful of engineers flying the Galileo Spacecraft flight system model.

Murphy, Susan C.↗
NASA NTRS2018

Evaluation of Crew-Centric Onboard Mission Operations Planning and Execution Tool: Year 2

Currently, mission planning for the International Space Station (ISS) is largely affected by ground operators in mission control. The task of creating a week-long mission plan for ISS crew takes dozens of people multiple days to complete, and is often created far in advance of its execution. As such, re-planning or adapting to changing real-time constraints or emergent issues is similarly taxing. As we design for future mission operations concepts to other planets or areas with limited connectivity to Earth, more of these ground-based tasks will need to be handled autonomously by the crew onboard.There is a need for a highly usable (including low training time) tool that enables efficient self-scheduling and execution within a single package. The ISS Program has identified Playbook as a potential option. It already has high crew acceptance as a plan viewer from previous analogs and can now support a crew self-scheduling assessment on ISS or on another mission. The goals of this work, a collaboration between the Human Research Program and the ISS Program, are to inform the design of systems for more autonomous crew operations and provide a platform for research on crew autonomy for future deep space missions. Our second year of the research effort have included new insights on the crew self-scheduling sessions performed by the crew through use on the HERA (Human Exploration Research Analog) and NEEMO (NASA Extreme Environment Mission Operations) analogs. Use on the NEEMO analog involved two self-scheduling strategies where the crew planned and executed two days of EVAs (Extra-Vehicular Activities). On HERA year two represented the first HERA campaign where we were able to perform research tasks. This involved selected flexible activities that the crew could schedule, mock timelines where the crew completed more complex planning exercises, usability evaluation of the crew self-scheduling features, and more insights into the limit of plan complexity that the crew could effectively self-schedule. In parallel we have added in new features and functionality in the Playbook tool based off of our insights from crew self-scheduling in the NASA analogs. In particular this year we have added in the ability for the crew to add, edit, and remove their own activities in the Playbook tool, expanding the type of planning and re-planning possible in the tool and opening up the ability for more free form plan creation. The ability to group and manipulate groups of activities from the plan task list was also added, allowing crew members to add predefined sets of activities onto their mission timeline. In addition we also added a way for crew members to roll back changes in their plan, in order to allow an undo like capability. These features expand and complement the initial self-scheduling features added in year one with the goal of making crew autonomous planning more efficient. As part of this work we have also finished developing the first version of our Playbook Data Analysis Tool, a research tool built to interpret and analyze the unobtrusively collected data obtained during the NASA analog missions through Playbook. This data which includes user click interaction as well as plan change information, through the Playbook Data Analysis Tool, allows us to playback this information as if a video camera was mounted over the crewmember's tablet. While the primary purpose of this tool is to allow usability analysis of crew self-scheduling sessions used on the NASA analog, since the data collected is structured, the tool can automatically derive metrics that would be traditionally tedious to achieve without manual analysis of video playback. We will demonstrate and discuss the ability for future derived metrics to be added to the tool. In addition to the current data and results gathered in year two we will also discuss the preparation and goals of our International Space Station (ISS) onboard technology demonstration with Playbook. This technology demonstration will be preformed as part of the CAST payload starting in late 2016.

onboard planning↗
NASA NTRSDate not supplied

HydroSAR: A Cloud-based SAR Data Analysis Service to Monitor Hydrological Disasters and their Impact on Population and Agriculture

Weather-related hazards are ubiquitous around the world including: 1) hurricane storm surges, 2) rapid snowmelt and heavy rainfall, 3) severe weather leading to flash floods, and 4) seasonal freeze and thaw of rivers that may lead to ice jams. Each of these hazards affects human settlements and has the potential to impact agricultural productivity. In each setting, end-users in disaster management need access to data processing tools helpful in mapping past and current disasters. Analysis of past events supports risk mitigation by understanding what has already occurred and how to alleviate those impacts in the future. Having capabilities to generate the same products in a response setting means that lessons learned from risk analysis will carry forward to event response. Synthetic aperture radar (SAR) data are particularly useful for these activities due to their all-weather 24/7 monitoring capabilities. In this effort we present HydroSAR, a cloud-based SAR data analysis service for the mapping of meteorological and hydrological disasters as well as their impact on population and agriculture. As part of this project we have developed a series of SAR-based value added products for the monitoring of surface hydrology (image time series, change detection, flood extent, flood depth) and the assessment of impacts on population (flood depth) and agriculture (active agriculture, inundated agriculture, flood duration). We also developed a cloud-based platform for generating these products over affected areas and are working with end-users to integrate derived product into decision-making workflows The paper will briefly introduce the SAR-based products that were developed for this effort. We describe the cloud-based production pipeline that was built to automatically generate these products in near-real time over extended regions. The integration of SAR-based information into hazard preparation and response activities is described for a number of recent disasters including the 2019 forest fires in Alaska, 2019 flooding in the U.S. Midwest, the 2020 U.S. severe weather easter outbreak, 2020 tropical storm Christobal, 2020 cyclone Amphan, 2020, Alaska Spring breakup flooding, and the 2020 flood season in Eastern India, Bangladesh, and Nepal.

Franz Josef Meyer↗
DOE OSTI2023

Annual Technology Baseline: ATB-calc Open Source Tools [Slides]

The Annual Technology Baseline (ATB) team will introduce the new open-source Python tools for processing and interacting with electricity ATB data and provide helpful user demonstrations, including how to: extract data from the ATB workbook and calculate levelized cost of electricity (LCOE) in Python; programmatically interact with and modify ATB data; and use the tools to modify the tax credit assumptions of the ATB to account for bonus credits from the Inflation Reduction Act of 2022.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗