Difference between revisions of "CSD"

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(Updated to use "current" links)
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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/csd2011/bin/cq
+
    source /raid3/software/csd/current.csh
  
The license is in:
+
You can then run Conquest by executing the command:
  
/raid3/software/csd/csd2011/csd_licence.dat
+
    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

Revision as of 13:23, 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