Cambridge structural database system [electronic resource] : CSDS
- Cambridge : Cambridge Crystallographic Data Centre,
- Physical description
- CD-ROMs ; 4 3/4 in. + documentation.
- Crystallographic Data Centre.
- Contains bibliographic, chemical and crystallographic information for organic molecules and metal-organic compounds whose 3D structures have been determined using X-ray diffraction or neutron diffraction. Records results of single crystal studies and 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. Also includes crystal structure data arising from publications in the open literature and private communications to the CSD (via direct data deposition).
- The Cambridge Structural Database System (CSDS) is a powerful and highly flexible suite of software tools and structural knowledge-bases. The CSDS enables you to explore and utilize the knowledge contained within more than 600,000 crystal structures. The CSDS includes this software and data: Conquest: search interface to retrieve data from the CSD; CSD: the world repository of small molecule crystal structures; IsoStar: knowledge-based library of intermolecular interactions; Mercury: visualize and analyze CSD data; Mogul: validate molecular geometry; PreQuest: build searchable databases of in-house crystal structures.Our license also includes: SuperStar: knowledge-based pharmacophore generation and prediction of intermolecular interactions.DASH: structure solution from powder diffraction data. WebCSD: access newly published structures online. In addition to full text and numeric searching, WebCSD allows 2D chemical substructure queries defined using an embedded sketcher with a search option to locate CSD entries having the highest molecular similarity to a drawn query molecule.
- Supplemental links
- Title Variation
- Cambridge Crystallographic Data Centre
- Description based on: V5.11 (April 1996 release); title from welcome screen.
- Some issues contain Brookhaven protein data bank.
- Container spine also carries numbering: <961->
- Issues consist of multiple discs.
- Searchable database also available on the Internet to registered users.
- CSD database also available as a tape-loaded database.
- System requirements: UNIX and Windows.
- Accompanied by regularly updated manual, installation notes and release notes.
- Available online to Stanford-affiliated users.
- Included Work
- Brookhaven protein data bank.