CSD

From DISI
Revision as of 22:45, 20 December 2011 by Rgc (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB).

login to sgehead1 and run the following command to correctly initialize your environment:

   $ source /raid3/software/csd/current.csh

You can then run Conquest by executing the command:

    $ cq

This will be calling the file: /raid3/software/csd/current/bin/cq

In case you are prompted for a licence for any reason, it is located in

/raid3/software/csd/current/csd/csd_licence.dat

If this fails with the error Tcl Error about no display, you may have to login using:

ssh -Y sgehead

Which forwards your X session.

If you want help using ConQuest, try the documentation:

http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html