Difference between revisions of "CSD"
From DISI
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/raid3/software/csd/current/csd/csd_licence.dat | /raid3/software/csd/current/csd/csd_licence.dat | ||
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| + | If this fails with the error Tcl Error about no display, you may have to login using: | ||
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| + | 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 | ||
Revision as of 14:45, 20 December 2011
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
