Difference between revisions of "CSD"
From DISI
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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 | ||
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
