Olex2 • Olex2 to CDS Plugin

The CDS as mentioned in numerous places on the forum (for example& here) can now be searched using Olex2.

This plugin, which I've tested successfully under Linux, takes the unit cell parameters from your currently refining structure and then lets you search the CDS CrystalWeb system.

You will need a CDS username and password to use this plugin these are free to UK academics, PhD, postdocs, UGs, etc just check here to see if you can use it.

What you need to do

You'll need to get the python file from the members only area of the forum. Sorry, but membership does have its benefits.

1. Close down any running instances of Olex2
2. Next you need to copy that file to your Olex2/etc/scripts directory and rename it OlexCDS.py
3. Now edit your customScripts.py file also located within that directory and add the line
   

   Code:

   import OlexCDS

   and save the file

4. Next Start Olex2
5. Once done you should be able to type:
   

   Code:

   spy.OlexCDS()

   This will run a default search on your live structure.

Please let me know how this works out for you. By replying to this post.
This is the first release of the code so it may be a bit "bitty" also note tested under Linux not certain about windows.

Statistics: Posted by johnewarren — 09 Mar 2010, 17:03