The Cambridge Structural Database is the world repository of small molecule crystal structures. The database holds bibliographic, 2D chemical and 3D structural results from crystallographic analyses of organics, organometallics and metal complexes. Both X-ray and neutron diffraction studies are included for compounds containing up to ca. 500 atoms (including hydrogens).
Along with the database are tools for search, retreival, analysis, and display of the CSD contents. These include ConQuest (for text, numeric, 2D substructure and 3D geometric searching) and VISTA (statistical analysis and display of geometric and other data).
WebCSD is also available for all NIH employees interested in using the database.
Displayed on the X-Windows splash screen during initial startup.
CSD requires an X-windows session. Click here for more information about X-Windows.
To use, type quest at the prompt.Sample session: (replace 'username' with your own Helix username)
[username@helix ~] $ quest Starting ConQuest. Use questv5 for QUEST. Running ConQuest with glibc version 2.5 2.5
WebCSD is the new online portal to the Cambridge Structural Database. NIH Users can access it without having to log in to helix. New structures are added weekly for up-to-date searches. Users can perform searches - Similarity, Substructure, Text and Numerical - as well as browse the database.
The portal is restricted to NIH IP addresses only. If you are at home, you must connect to the NIH VPN before using.
CSD and Conquest documentation at the CSD website.