WebCSD: Web Version of Cambridge Structural Database Available
WebCSD, the new online portal to the Cambridge Structural Database (CSD), is now available to Stanford students, faculty, and staff. Still a beta product, it enables users to access the CSD anywhere, any time, without installing any software. It has an intuitive interface for searching. New structures are added to CSD weekly for up-to-date searches.
Features of WebCSD include:
- Substructure searching
- Similarity searching (only available in WebCSD)
- Text/numeric searching (journal reference, compound name, all text)
- Reduced cell searching
- Database browsing
- Customizable 3D display using embedded AstexViewer™ applet — no local software installation required. External viewers also supported.
- Single pane results window
- Easy structure and result export features
About content in CSD:
The CSD 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 toobtain 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).
About software in the CSD System:
The software version of the Cambridge Structural Database (CSD) is distributed as part of the CSD System which includes software for search and information retrieval (ConQuest), structure visualisation (Mercury), numerical analysis (Vista), and database creation (PreQuest). The CSD System also incorporates IsoStar, a knowledge base of intermolecular interactions, containing data derived from both the CSD and the PDB.
Downloading/installation Software at Stanford for using CSD and SuperStar:
Mac and PC versions are available for downloading from a server. All versions of CSD are available for installation using CD-ROMs that are on reserve at Swain. Please ask at Swain’s Circulation desk to borrow them for two hours. We still need to make SuperStar (PC only) available for downloading. I will send out an announcement to let you know when it’s available. For more info about CSD and SuperStar, please go to product flyers listed below.
Product Information Flyers
About CSD System (pdf)
The World’s Repository of Small-Molecule Crystal Structures
About the Materials Module in Mercury CSD (pdf)
Find, Identify and Analyze Crystal Packing Motifs
About SuperStar (pdf)
Predicting Intermolecular Interactions
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