Difference between revisions of "CSD"

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(Updated to use "current" links)
m (Minor formatting)
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login to sgehead1 and run the following command to correctly initialize your environment:
 
login to sgehead1 and run the following command to correctly initialize your environment:
  
     source /raid3/software/csd/current.csh
+
     $ source /raid3/software/csd/current.csh
  
 
You can then run Conquest by executing the command:
 
You can then run Conquest by executing the command:
  
     cq
+
     $ cq
  
 
This will be calling the file: /raid3/software/csd/current/bin/cq
 
This will be calling the file: /raid3/software/csd/current/bin/cq

Revision as of 13:24, 8 September 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