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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

RCSB protein data Bank: Next‐generation advanced search for exploration of experimental structures and computed structure models

Abstract The Protein Data Bank (PDB), established in 1971, is the primary global, open‐access archive for experimentally determined 3D macromolecular structures (proteins, RNA, DNA). The research‐focused RCSB.org web‐portal provides access to these data alongside more than one million machine‐learning‐predicted structure models, greatly expanding the available structural landscape. Rapid growth of both experimental and computational structures has increased the need for powerful yet accessible search tools that serve a broad and diverse scientific community. Herein, we describe a redesigned RCSB Protein Data Bank RCSB.org Advanced Search capability that supports intuitive discovery of 3D structures through a unified interface. This interface integrates annotation‐, sequence‐, and 3D structure‐based searches, embeds an interactive 3D viewer, and incorporates curated biological knowledge, such as catalytic site definitions from Mechanism and Catalytic Site Atlas and ligand‐guided structural motifs, for constructing geometry‐driven queries. A new Chemical Search tool allows definition of chemical queries via an integrated drawing tool or standard identifiers, seamlessly combining them with annotation filters. By allowing query definition directly within spatial and chemical contexts, these search interfaces reduce the need for detailed knowledge of residue numbering, chain identifiers, or external cheminformatics software. This capability enables efficient exploration of structures, chemical diversity, and structure–function relationships across all life domains. The redesigned interfaces can be accessed directly at rcsb.org/search/advanced for Advanced Search and rcsb.org/search/chemical for Chemical Search.

Rose, Yana [Research Collaboratory for Structural ↗
NASA NTRS2003

Interactive, Secure Web-enabled Aircraft Engine Simulation Using XML Databinding Integration

This paper discusses the detailed design of an XML databinding framework for aircraft engine simulation. The framework provides an object interface to access and use engine data. while at the same time preserving the meaning of the original data. The Language independent representation of engine component data enables users to move around XML data using HTTP through disparate networks. The application of this framework is demonstrated via a web-based turbofan propulsion system simulation using the World Wide Web (WWW). A Java Servlet based web component architecture is used for rendering XML engine data into HTML format and dealing with input events from the user, which allows users to interact with simulation data from a web browser. The simulation data can also be saved to a local disk for archiving or to restart the simulation at a later time.

Lin, Risheng↗
NASA NTRSDate not supplied

Data Sharing in Radiobiology; Towards FAIR

The value of scientific data depends on their findability, accessibility, integrability and reusability according to the FAIR principles. Together with the sustainability of data preservation and access, these principles underpin the long term benefits of scientific research. Within the domain of radiobiology we have a huge array of data types, themes and complexities which make standardisation of metadata, data structure and data integration very challenging. Moreover, it is clear that, for example, in the area of disaster preparedness, the ready discovery and availability of multiple types of data, for example on biological effects of exposure, climatology, ecology, human behavioural and attitudinal studies, is important for an integrated scientific approach. Because these data are spread over many databases, journal supplementary information resources and even the computers of the investigators, their discovery and reuse can be challenging. Despite exhortations from funding agencies and scientific institutions over the past two decades there is still a serious deficit in the willingness and in some cases the ability of investigators to share data, and although much may not be formally „Public domain“, information about the existence of the data, their metadata, and how to obtain them should always be available. We report the progress of work on three databases, the STORE and the NASA GeneLab and LSDA repositories to leverage the Radiation Biology Ontology (RBO), a structured terminology for metadata that can be used by all radiation biology-relevant databases to unite federated and automated data searches across multiple databases, for example using web services, and through semantic web technologies supporting data discovery. The initial primary use-cases for RBO were archiving data in the STORE database (https://www.storedb.org/), the repository used for the RadoNorm and Pianoforte Projects among others, and in the NASA Open Science Data Repository (https://osdr.nasa.gov/bio). The scope of radiobiology research ranges from basic physics to radiation oncology to sociolegal studies; no existing ontology had the necessary breadth or depth to fulfill this need. In addition, a formal ontology has the advantage of being usable for machine learning and, importantly, for tasks like data integration, knowledge extraction from the scientific literature and for query extension and data classification. Standardisation of metadata is one of the primary objectives of the FAIR principles for open data; RBO is an important landmark for FAIR-compliant radiation biology data sharing. The RBO is developed using the open-source tools of GitHub and the OBO Foundry-led Ontology Development Kit, and published through GitHub and the NIH/NCBI BioPortal website. This initial phase of concept modeling has yielded an ontology that has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies with relevance to radiation biology (for example, concepts from the ISO standard Basic Formal Ontology, the Environment Ontology and the Gene Ontology). We welcome input into the development of RBO and encourage its adoption.

ontologies↗
NASA NTRS2023

Data Sharing in Radiation Biology: Towards FAIR

The value of scientific data depends on their findability, accessibility, integrability and reusability according to the FAIR principles. Together with the sustainability of data preservation and access, these principles underpin the long term benefits of scientific research. Within the domain of radiobiology we have a huge array of data types, themes and complexities which make standardisation of metadata, data structure and data integration very challenging. Moreover, it is clear that, for example, in the area of disaster preparedness, the ready discovery and availability of multiple types of data, for example on biological effects of exposure, climatology, ecology, human behavioural and attitudinal studies, is important for an integrated scientific approach. Because these data are spread over many databases, journal supplementary information resources and even the computers of the investigators, their discovery and reuse can be challenging. Despite exhortations from funding agencies and scientific institutions over the past two decades there is still a serious deficit in the willingness and in some cases the ability of investigators to share data, and although much may not be formally "Public domain“, information about the existence of the data, their metadata, and how to obtain them should always be available. We report the progress of work on three databases, the STORE and the NASA GeneLab and LSDA repositories to leverage the Radiation Biology Ontology (RBO), a structured terminology for metadata that can be used by all radiation biology-relevant databases to unite federated and automated data searches across multiple databases, for example using web services, and through semantic web technologies supporting data discovery. The initial primary use-cases for RBO were archiving data in the STORE database (https://www.storedb.org/), the repository used for the RadoNorm and Pianoforte Projects among others, and in the NASA Open Science Data Repository (https://osdr.nasa.gov/bio). The scope of radiobiology research ranges from basic physics to radiation oncology to sociolegal studies; no existing ontology had the necessary breadth or depth to fulfill this need. In addition, a formal ontology has the advantage of being usable for machine learning and, importantly, for tasks like data integration, knowledge extraction from the scientific literature and for query extension and data classification. Standardisation of metadata is one of the primary objectives of the FAIR principles for open data; RBO is an important landmark for FAIR-compliant radiation biology data sharing. The RBO is developed using the open-source tools of GitHub and the OBO Foundry-led Ontology Development Kit, and published through GitHub and the NIH/NCBI BioPortal website. This initial phase of concept modeling has yielded an ontology that has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies with relevance to radiation biology (for example, concepts from the ISO standard Basic Formal Ontology, the Environment Ontology and the Gene Ontology). We welcome input into the development of RBO and encourage its adoption.

ontologies↗
NASA NTRS2004

Archiving Space Geodesy Data for 20+ Years at the CDDIS

Since 1982, the Crustal Dynamics Data Information System (CDDIS) has supported the archive and distribution of geodetic data products acquired by NASA programs. These data include GPS (Global Positioning System), GLONASS (GLObal NAvigation Satellite System), SLR (Satellite Laser Ranging), VLBI (Very Long Baseline Interferometry), and DORIS (Doppler Orbitography and Radiolocation Integrated by Satellite). The data archive supports NASA's space geodesy activities through the Solid Earth and Natural Hazards (SENH) program. The CDDIS data system and its archive have become increasingly important to many national and international programs, particularly several of the operational services within the International Association of Geodesy (IAG), including the International GPS Service (IGS), the International Laser Ranging Service (ILRS), the International VLBI Service for Geodesy and Astrometry (IVS), the International DORIS Service (IDS), and the International Earth Rotation Service (IERS). The CDDIS provides easy and ready access to a variety of data sets, products, and information about these data. The specialized nature of the CDDIS lends itself well to enhancement and thus can accommodate diverse data sets and user requirements. All data sets and metadata extracted from these data sets are accessible to scientists through ftp and the web; general information about each data set is accessible via the web. The CDDIS, including background information about the system and its user communities, the computer architecture, archive contents, available metadata, and future plans will be discussed.

Noll, Carey E.↗
NASA NTRS1996

Data Archival and Retrieval Enhancement (DARE) Metadata Modeling and Its User Interface

The Defense Nuclear Agency (DNA) has acquired terabytes of valuable data which need to be archived and effectively distributed to the entire nuclear weapons effects community and others...This paper describes the DARE (Data Archival and Retrieval Enhancement) metadata model and explains how it is used as a source for generating HyperText Markup Language (HTML)or Standard Generalized Markup Language (SGML) documents for access through web browsers such as Netscape.

The Defense Nuclear Agency DNA DARE Data Archival ↗
NASA NTRS2001

Marshall Space Flight Center's Tower Vector Magnetograph: Upgrades, Hardware, and Operations for the HESSI Mission

The Marshall Space Flight Center's (MSFC) solar group announces the successful upgrade of our tower vector magnetograph. In operation since 1973, the last major alterations to the system (which includes telescope, filter, polarizing optics, camera, and data acquisition computer) were made in 1982, when we upgraded from an SEC Vidicon camera to a CCD. In 1985, other changes were made which increased the field-of-view from 5 x 5 arc min (2.4 arc sec per pixel) to 6 x 6 arc min with a resolution of 2.81 arc sec. In 1989, the Apollo Telescope Mount H-alpha telescope was coaligned with the optics of the magnetograph. The most recent upgrades (year 2000), funded to support the High Energy Solar Spectroscopic Imager (HESSI) mission, have resulted in a pixel size of 0.64 arc sec over a 7 x 5.2 arc min field-of-view (binning 1x1). This poster describes the physical characteristics of the new system and compares spatial resolution, timing, and versatility with the old system. Finally, we provide a description of our Internet web site, which includes images of our most recent observations, and links to our data archives, as well as the history of magnetography at MSFC and education outreach pages.

Adams, M. L.↗
NASA NTRS1999

Using the World Wide Web for GIDEP Problem Data Processing at Marshall Space Flight Center

Since April 1997, Marshall Space Flight Center has been using electronic transfer and the web to support our processing of the Government-Industry Data Exchange Program (GIDEP) and NASA ALERT information. Specific aspects include: (1) Extraction of ASCII text information from GIDEP for loading into Word documents for e-mail to ALERT actionees; (2) Downloading of GIDEP form image formats in Adobe Acrobat (.pdf) for internal storage display on the MSFC ALERT web page; (3) Linkage of stored GRDEP problem forms with summary information for access from the MSFC ALERT Distribution Summary Chart or from an html table of released MSFC ALERTs (4) Archival of historic ALERTs for reference by GIDEP ID, MSFC ID, or MSFC release date; (5) On-line tracking of ALERT response status using a Microsoft Access database and the web (6) On-line response to ALERTs from MSFC actionees through interactive web forms. The technique, benefits, effort, coordination, and lessons learned for each aspect are covered herein.

McPherson, John W.↗
DOE OSTI2022

Protein Data Bank: A Comprehensive Review of 3D Structure Holdings and Worldwide Utilization by Researchers, Educators, and Students

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), funded by the United States National Science Foundation, National Institutes of Health, and Department of Energy, supports structural biologists and Protein Data Bank (PDB) data users around the world. The RCSB PDB, a founding member of the Worldwide Protein Data Bank (wwPDB) partnership, serves as the US data center for the global PDB archive housing experimentally-determined three-dimensional (3D) structure data for biological macromolecules. As the wwPDB-designated Archive Keeper, RCSB PDB is also responsible for the security of PDB data and weekly update of the archive. RCSB PDB serves tens of thousands of data depositors (using macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro-electron diffraction) annually working on all permanently inhabited continents. RCSB PDB makes PDB data available from its research-focused web portal at no charge and without usage restrictions to many millions of PDB data consumers around the globe. It also provides educators, students, and the general public with an introduction to the PDB and related training materials through its outreach and education-focused web portal. This review article describes growth of the PDB, examines evolution of experimental methods for structure determination viewed through the lens of the PDB archive, and provides a detailed accounting of PDB archival holdings and their utilization by researchers, educators, and students worldwide.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2005

CEDAR/TIMED: Thermospheric Vertical Wind Observations from Three Sites in the Northern Auroral Zone

The objective of this project was to operate ground based Fabry-Perot Interferometers at several points under the auroral zone to analyze and quantify the vertical wind in the thermosphere. These measurements were made in conjunction with TIMED, especially GUVI data, to relate the observed wind to the resulting mixing and compositional changes in the thermosphere. The ground based wind measurements were obtained from a scanning Doppler imager (SDI) in Poker Flat, and a vertically aligned Fabry Perot Imager (FPI) in Inuvik. A third FPI at Eagle, Alaska, was operated for a brief overlapping period as well. The SDI at Poker Flat had been in operation for several years, and was continued to run with little support from this grant. The much more expensive operation, maintenance, and data acquisition of the remote Inuvik FPI was made possible with funds from this project. During the 2003/2004 and 2004/2005 seasons, we operated the Inuvik FPI from September to April during hours of darkness. Two trips to service the instrument were required per year, and a local caretaker was funded to help keep the instrument going during the winter seasons. The data were transfered via modem and phone line to Poker Flat and were then analyzed to obtain wind and temperature at the altitude of the auroral green line OI(557.7 nm). The final data product was archived and transferred to the GEDDS system at Poker Flat were it is available on the web: http://gedds.pfrr.alaska.edu/. The data set is also available from the CEDAR data base: http://cedarweb.hao.ucar.edu/.

Lummerzheim, D.↗
NASA NTRS2024

Transitioning Sixty Years of NASA Spacesuit Knowledge Capture Lessons Learned to Searchable Knowledge Transfer Databases

Sixty years of spacesuit knowledge capture and lessons learned by spacesuit subject matter experts are documented on videos and presentations and archived with the NASA Engineering and Safety Center (NESC) Academy. The NESC Academy is a web-based platform that hosts online courses by technical experts. A process is underway to transition these decades of lessons learned from the U.S. Spacesuit Knowledge Capture Program Library into more quicky searchable databases and to proactively provide this information to those working on spacesuit projects. Hundreds of lessons learned from Project Mercury, Gemini, Apollo, Apollo- Soyuz Test Project, Skylab, Space Shuttle, International Space Station, and Artemis have been captured in a format that can be quickly searched, enabling users to find information directly applicable to their needs. Transitioning this information to a NASA wiki page will further enhance search and retrieval of data immediately useful to users. This paper provides information about how the lessons learned were determined and how to access them.

spacesuit↗
NASA NTRSDate not supplied

Transitioning Sixty Years of NASA Spacesuit Knowledge Capture Lessons Learned to Searchable Knowledge Transfer Databases

Sixty years of spacesuit knowledge capture and lessons learned by spacesuit subject matter experts are documented on videos and presentations and archived with the NASA Engineering and Safety Center (NESC) Academy. The NESC Academy is a web-based platform that hosts online courses by technical experts. A process is underway to transition these decades of lessons learned from the U.S. Spacesuit Knowledge Capture Program Library into more quicky searchable databases and to proactively provide this information to those working on spacesuit projects. Hundreds of lessons learned from Project Mercury, Gemini, Apollo, Apollo- Soyuz Test Project, Skylab, Space Shuttle, International Space Station, and Artemis have been captured in a format that can be quickly searched, enabling users to find information directly applicable to their needs. Transitioning this information to a NASA wiki page will further enhance search and retrieval of data immediately useful to users. This paper provides information about how the lessons learned were determined and how to access them.

spacesuit↗
DOE OSTI2021

RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D

We report the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), funded by the US National Science Foundation, National Institutes of Health, and Department of Energy, has served structural biologists and Protein Data Bank (PDB) data consumers worldwide since 1999. RCSB PDB, a founding member of the Worldwide Protein Data Bank (wwPDB) partnership, is the US data center for the global PDB archive housing biomolecular structure data. RCSB PDB is also responsible for the security of PDB data, as the wwPDB-designated Archive Keeper. Annually, RCSB PDB serves tens of thousands of three-dimensional (3D) macromolecular structure data depositors (using macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro-electron diffraction) from all inhabited continents. RCSB PDB makes PDB data available from its research-focused RCSB.org web portal at no charge and without usage restrictions to millions of PDB data consumers working in every nation and territory worldwide. In addition, RCSB PDB operates an outreach and education PDB101.RCSB.org web portal that was used by more than 800,000 educators, students, and members of the public during calendar year 2020. This invited Tools Issue contribution describes (i) how the archive is growing and evolving as new experimental methods generate ever larger and more complex biomolecular structures; (ii) the importance of data standards and data remediation in effective management of the archive and facile integration with more than 50 external data resources; and (iii) new tools and features for 3D structure analysis and visualization made available during the past year via the RCSB.org web portal.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2004

Managing an Archive of Images

The SSC Multimedia Archive is an automated electronic system to manage images, acquired both by film and digital cameras, for the Public Affairs Office (PAO) at Stennis Space Center (SSC). Previously, the image archive was based on film photography and utilized a manual system that, by today s standards, had become inefficient and expensive. Now, the SSC Multimedia Archive, based on a server at SSC, contains both catalogs and images for pictures taken both digitally and with a traditional, film-based camera, along with metadata about each image. After a "shoot," a photographer downloads the images into the database. Members of the PAO can use a Web-based application to search, view and retrieve images, approve images for publication, and view and edit metadata associated with the images. Approved images are archived and cross-referenced with appropriate descriptions and information. Security is provided by allowing administrators to explicitly grant access privileges to personnel to only access components of the system that they need to (i.e., allow only photographers to upload images, only PAO designated employees may approve images).

Andres, Vince↗
DOE OSTI2024

RCSB Protein Data Bank: supporting research and education worldwide through explorations of experimentally determined and computationally predicted atomic level 3D biostructures

The Protein Data Bank (PDB) was established as the first open-access digital data resource in biology and medicine in 1971 with seven X-ray crystal structures of proteins. Today, the PDB houses >210 000 experimentally determined, atomic level, 3D structures of proteins and nucleic acids as well as their complexes with one another and small molecules ( e.g. approved drugs, enzyme cofactors). These data provide insights into fundamental biology, biomedicine, bioenergy and biotechnology. They proved particularly important for understanding the SARS-CoV-2 global pandemic. The US-funded Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and other members of the Worldwide Protein Data Bank (wwPDB) partnership jointly manage the PDB archive and support >60 000 `data depositors' (structural biologists) around the world. wwPDB ensures the quality and integrity of the data in the ever-expanding PDB archive and supports global open access without limitations on data usage. The RCSB PDB research-focused web portal at https://www.rcsb.org/ (RCSB.org) supports millions of users worldwide, representing a broad range of expertise and interests. In addition to retrieving 3D structure data, PDB `data consumers' access comparative data and external annotations, such as information about disease-causing point mutations and genetic variations. RCSB.org also provides access to >1 000 000 computed structure models (CSMs) generated using artificial intelligence/machine-learning methods. To avoid doubt, the provenance and reliability of experimentally determined PDB structures and CSMs are identified. Related training materials are available to support users in their RCSB.org explorations.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2009

NASA's Earth Observing Data and Information System

NASA's Earth Observing System Data and Information System (EOSDIS) has been a central component of NASA Earth observation program for over 10 years. It is one of the largest civilian science information system in the US, performing ingest, archive and distribution of over 3 terabytes of data per day much of which is from NASA s flagship missions Terra, Aqua and Aura. The system supports a variety of science disciplines including polar processes, land cover change, radiation budget, and most especially global climate change. The EOSDIS data centers, collocated with centers of science discipline expertise, archive and distribute standard data products produced by science investigator-led processing systems. Key to the success of EOSDIS is the concept of core versus community requirements. EOSDIS supports a core set of services to meet specific NASA needs and relies on community-developed services to meet specific user needs. EOSDIS offers a metadata registry, ECHO (Earth Observing System Clearinghouse), through which the scientific community can easily discover and exchange NASA s Earth science data and services. Users can search, manage, and access the contents of ECHO s registries (data and services) through user-developed and community-tailored interfaces or clients. The ECHO framework has become the primary access point for cross-Data Center search-and-order of EOSDIS and other Earth Science data holdings archived at the EOSDIS data centers. ECHO s Warehouse Inventory Search Tool (WIST) is the primary web-based client for discovering and ordering cross-discipline data from the EOSDIS data centers. The architecture of the EOSDIS provides a platform for the publication, discovery, understanding and access to NASA s Earth Observation resources and allows for easy integration of new datasets. The EOSDIS also has developed several methods for incorporating socioeconomic data into its data collection. Over the years, we have developed several methods for determining needs of the user community including use of the American Customer Satisfaction Index and a broad metrics program.

Mitchell, Andrew E.↗
NASA NTRS2016

Technical Challenges and Lessons from the Migration of the GLOBE Data and Information System to Utilize Cloud Computing Service

The Global Learning and Observation to Benefit the Environment (GLOBE) Data and Information System supports an international science and education program with capabilities to accept local environment observations, archive, display and visualize them along with global satellite observations. Since its inception twenty years ago, the Web and database system has been upgraded periodically to accommodate the changes in technology and the steady growth of GLOBEs education community and collection of observations. Recently, near the end-of-life of the system hardware, new commercial computer platform options were explored and a decision made to utilize Cloud services. Now the GLOBE DIS has been fully deployed and maintained using Amazon Cloud services for over two years now. This paper reviews the early risks, actual challenges, and some unexpected findings as a result of the GLOBE DIS migration. We describe the plans, cost drivers and estimates, highlight adjustments that were made and suggest improvements. We present the trade studies for provisioning, for load balancing, networks, processing, storage, as well as production, staging and backup systems. We outline the migration teams skills and required level of effort for transition, and resulting changes in the overall maintenance and operations activities. Examples include incremental adjustments to processing capacity and frequency of backups, and efforts previously expended on hardware maintenance that were refocused onto application-specific enhancements.

GLOBE↗
NASA NTRS2017

Technical Challenges and Lessons from the Migration of the GLOBE Data and Information System to Utilize Cloud Computing Service

The Global Learning and Observation to Benefit the Environment (GLOBE) Data and Information System supports an international science and education program with capabilities to accept local environment observations, archive, display and visualize them along with global satellite observations. Since its inception twenty years ago, the Web and database system has been upgraded periodically to accommodate the changes in technology and the steady growth of GLOBEs education community and collection of observations. Recently, near the end-of-life of the system hardware, new commercial computer platform options were explored and a decision made to utilize Cloud services. Now the GLOBE DIS has been fully deployed and maintained using Amazon Cloud services for over two years now. This paper reviews the early risks, actual challenges, and some unexpected findings as a result of the GLOBE DIS migration. We describe the plans, cost drivers and estimates, highlight adjustments that were made and suggest improvements. We present the trade studies for provisioning, for load balancing, networks, processing, storage, as well as production, staging and backup systems. We outline the migration teams skills and required level of effort for transition, and resulting changes in the overall maintenance and operations activities. Examples include incremental adjustments to processing capacity and frequency of backups, and efforts previously expended on hardware maintenance that were refocused onto application-specific enhancements.

GLOBE Data↗