Difference between revisions of "CSD"

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  http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html
 
  http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html
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[[Category:Internal]]
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[[Category:Cheminformatics]]
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[[Category:Databases]]
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[[Category:Tutorial]]

Revision as of 18:57, 13 February 2014

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