How to Use 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 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...
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متن کاملThe Cambridge Structural Database System – from crystallographic data to protein-ligand applications
Currently (forthcoming October 2001 release) containing 245392 entries, the CSD is the world’s repository for small molecule organic and metal-organic crystal structures. There is a strict definition of the “turf” covered by the CSD with respect to the Protein DataBank (PDB) – structures with less than 1000 atoms in the asymmetric unit go into the CSD. CCDC has deposition arrangements with a ho...
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...
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ژورنال
عنوان ژورنال: Nihon Kessho Gakkaishi
سال: 1994
ISSN: 0369-4585,1884-5576
DOI: 10.5940/jcrsj.36.42