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The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB). | The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB). | ||
login to sgehead1 and run the following command: | login to sgehead1 and run the following command to correctly initialize your environment: | ||
/raid3/software/csd/ | $ source /raid3/software/csd/current.csh | ||
You can then run Conquest by executing the command: | |||
/raid3/software/csd/ | $ 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 | |||
Revision as of 22:45, 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