Frank Allen: creating and using the Cambridge Structural Database System
نویسندگان
چکیده
منابع مشابه
The Cambridge Structural Database.
The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal-organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be the primary means of sharing structural chemistry data and knowledge across disciplines. As well as structures that are made public to support scientific articles, it includes man...
متن کاملThe Cambridge Structural Database (CSD): Current Activities and Future Plans
This paper reviews the search and analysis software packages QUEST3D and VISTA, also the database-building program PreQuest. The relationship between the CSD and the Protein Data Bank is discussed and development plans are outlined.
متن کاملWebCSD: the online portal to the Cambridge Structural Database
WebCSD, a new web-based application developed by the Cambridge Crystallographic Data Centre, offers fast searching of the Cambridge Structural Database using only a standard internet browser. Search facilities include two-dimensional substructure, molecular similarity, text/numeric and reduced cell searching. Text, chemical diagrams and three-dimensional structural information can all be studie...
متن کاملLife-science applications of the Cambridge Structural Database.
Several studies show that the molecular geometries and intermolecular interactions observed in small-molecule crystal structures are relevant to the modelling of in vivo situations, although the influence of crystal packing is sometimes important and should always be borne in mind. Torsional distributions derived from the Cambridge Structural Database (CSD) can be used to map out potential-ener...
متن کاملApplications of the Cambridge Structural Database in chemical education1
The Cambridge Structural Database (CSD) is a vast and ever growing compendium of accurate three-dimensional structures that has massive chemical diversity across organic and metal-organic compounds. For these reasons, the CSD is finding significant uses in chemical education, and these applications are reviewed. As part of the teaching initiative of the Cambridge Crystallographic Data Centre (C...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2015
ISSN: 2053-2733
DOI: 10.1107/s2053273315097338