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Found 6 result(s)
Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing the results of over one million x-ray and neutron diffraction analyses this unique database of accurate 3D structures has become an essential resource to scientists around the world. The CSD records bibliographic, chemical and crystallographic information for:organic molecules, metal-organic compounds whose 3D structures have been determined using X-ray diffraction, neutron diffraction. The CSD records results of: single crystal studies, powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD. The CSD includes crystal structure data arising from: publications in the open literature and Private Communications to the CSD (via direct data deposition). The CSD contains directly deposited data that are not available anywhere else, known as CSD Communications.
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The CDPP is the French national data centre for natural plasmas of the solar system. The CDPP assures the long term preservation of data obtained primarily from instruments built using French resources, and renders them readily accessible and exploitable by the international community. The CDPP also provides services to enable on-line data analysis (AMDA), 3D data visualization in context (3DView), and a propagation tool which bridges solar perturbations to in-situ measurements. The CDPP is involved in the development of interoperability, participates in several Virtual Observatory projects, and supports data distribution for scientific missions (Solar Orbiter, JUICE).
The Protein Data Bank (PDB) is an archive of experimentally determined three-dimensional structures of biological macromolecules that serves a global community of researchers, educators, and students. The data contained in the archive include atomic coordinates, crystallographic structure factors and NMR experimental data. Aside from coordinates, each deposition also includes the names of molecules, primary and secondary structure information, sequence database references, where appropriate, and ligand and biological assembly information, details about data collection and structure solution, and bibliographic citations. The Worldwide Protein Data Bank (wwPDB) consists of organizations that act as deposition, data processing and distribution centers for PDB data. Members are: RCSB PDB (USA), PDBe (Europe) and PDBj (Japan), and BMRB (USA). The wwPDB's mission is to maintain a single PDB archive of macromolecular structural data that is freely and publicly available to the global community.
HITRAN is an acronym for high-resolution transmission molecular absorption database. The HITRAN compilation of the SAO (HIgh resolution TRANmission molecular absorption database) is used for predicting and simulating transmission and emission of light in atmospheres. It is the world-standard database in molecular spectroscopy. The journal article describing it is the most cited reference in the geosciences. There are presently about 5000 HITRAN users world-wide. Its associated database HITEMP (high-temperature spectroscopic absorption parameters) is accessible by the HITRAN website.
OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.
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Paris Astronomical Data Centre aims at providing VO access to its data collections, at participating to international standards developments, at implementing VO compliant simulation codes, data visualization and analysis software. This centre hosts high level permanent activities for tools and data distribution under the format of reference services. These sustainable services are recognized at the national level as CNRS labeled services. The various activities are organised as portals whose functions are to provide visibility and information on the projects and to encourage collaboration.