[phenixbb] keeping ligand rigid in phenix refine

Pavel Afonine pafonine at lbl.gov
Fri Jan 12 10:03:46 PST 2018


> I want to keep my ligand positions rigids during phenix refine, so 
> that its position wont affected after phenix refine.

I suggest you exclude the ligand from positional refinement in 
phenix.refine. You can do this using atom selection for coordinate 
refinement in GUI or CL.

Pavel



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