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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). | ||
Our license for 2014 is installed on sgehead in [[cluster1]]. | |||
login to sgehead and run the following command to correctly initialize your environment: | |||
source /nfs/software/csd/current/env.csh | |||
You can then run Conquest by executing the command: | You can then run Conquest by executing the command: | ||
cq | |||
In case you are prompted for a licence for any reason, it is located in | In case you are prompted for a licence for any reason, it is located in | ||
/nfs/software/csd/current/csd/csd_licence.dat | |||
/ | |||
If this fails with the error Tcl Error about no display, you may have to login using: | If this fails with the error Tcl Error about no display, you may have to login using: | ||
ssh -Y sgehead | ssh -Y sgehead | ||
Which forwards your X session. | Which forwards your X session. | ||
If you want help using ConQuest, try the documentation: | If you want help using ConQuest, try the documentation: | ||
http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html | http://www.ccdc.cam.ac.uk/support/documentation/conquest/ConQuest/toc.html | ||
Return to [[:Category:Software]] | Return to [[:Category:Software]] | ||
Revision as of 15:34, 18 March 2014
The Cambridge Structural Database contains crystallographic data on small organic molecules (much like the PDB). Our license for 2014 is installed on sgehead in cluster1.
login to sgehead and run the following command to correctly initialize your environment:
source /nfs/software/csd/current/env.csh
You can then run Conquest by executing the command:
cq
In case you are prompted for a licence for any reason, it is located in
/nfs/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
Return to Category:Software