Difference between revisions of "CSD"

From DISI
Jump to: navigation, search
Line 1: Line 1:
 
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]].
+
Our license for 2014 is installed on sgehead in [[cluster 1]].
  
 
login to sgehead and run the following command to correctly initialize your environment:
 
login to sgehead and run the following command to correctly initialize your environment:

Revision as of 07:34, 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 cluster 1.

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