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Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration
dc.contributor.author | Gražulis, Saulius | |
dc.contributor.author | Quirós Olozábal, Miguel | |
dc.date.accessioned | 2020-06-23T09:29:06Z | |
dc.date.available | 2020-06-23T09:29:06Z | |
dc.date.issued | 2011-11-08 | |
dc.identifier.citation | Saulius Gražulis, Adriana Daškevič, Andrius Merkys, Daniel Chateigner, Luca Lutterotti, Miguel Quirós, Nadezhda R. Serebryanaya, Peter Moeck, Robert T. Downs, Armel Le Bail, Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration, Nucleic Acids Research, Volume 40, Issue D1, 1 January 2012, Pages D420–D427, [https://doi.org/10.1093/nar/gkr900] | es_ES |
dc.identifier.other | http://www.crystallography.net | |
dc.identifier.uri | http://hdl.handle.net/10481/62640 | |
dc.description | Application areas of the COD database With the current state of the COD database, several important applications are immediately possible. The coverage of compounds that are already included in the COD permits the usage of the COD for material identifications using powder diffractograms and theoretical computed powder patterns from the COD entries. Search-match software databases of such a kind are available for several diffractometers (http://www.crystallography.net/archives/2011/PANalytical/, http://www.crystallography.net/archives/2011/Rigaku/, http://www.bruker-axs.com/crystallography_open_database.html). Even without 100% coverage of all known compounds (and elements), COD can be used for gathering statistics about chemical and structural properties of organic compounds, assuming that the COD has a representative subset of the compounds of interest. Since the COD may be accessed and downloaded free of charge by universities and students, the COD can also be used for teaching, providing a real life and high volume example of a scientific database for formulating challenging tasks in data mining and processing. A lucrative use of the COD arises in areas where large amounts of computing power is necessary and grid or volunteer computing is viable. The open nature of the COD permits the downloading of this database or its parts to any number of computers, thus taking advantage of huge amounts of parallel resources available in grid/volunteer computing environments. | es_ES |
dc.description.abstract | Using an open-access distribution model, the Crystallography Open Database (COD, http://www.crystallography.net) collects all known ‘small molecule / small to medium sized unit cell’ crystal structures and makes them available freely on the Internet. As of today, the COD has aggregated ∼150 000 structures, offering basic search capabilities and the possibility to download the whole database, or parts thereof using a variety of standard open communication protocols. A newly developed website provides capabilities for all registered users to deposit published and so far unpublished structures as personal communications or pre-publication depositions. Such a setup enables extension of the COD database by many users simultaneously. This increases the possibilities for growth of the COD database, and is the first step towards establishing a world wide Internet-based collaborative platform dedicated to the collection and curation of structural knowledge. | es_ES |
dc.description.sponsorship | Research Council of Lithuania MIP-124/2010 | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Oxford University Press | es_ES |
dc.rights | Atribución-NoComercial 3.0 España | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc/3.0/es/ | * |
dc.title | Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es_ES |
dc.identifier.doi | 10.1093/nar/gkr900 | |
dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es_ES |