Hello everyone,

I am trying to refine structures with Refmac.

The problem is that nobody from my working group is familiar with this programm. They are using Phenix exclusively.

That's why I need your help. I would like to refine the occupancy. I know that I need a keyword file for this, but I have no idea how to create such a keyword file.

Can someone maybe send me a sample file? I think that would help me. I have found essential keywords, but I don't know how to build up such a file.

Thank you very much in advance!

Best regards,
Marina

--
Marina Gárdonyi

PhD Student, Research Group Professor Dr. Klebe

Department of Pharmaceutical Chemistry

Philipps-University Marburg

Marbacher Weg 6, 35032 Marburg, Germany

Phone: +49 6421 28 21392

E-Mail: marina....@pharmazie.uni-marburg.de

http://www.agklebe.de/

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