[phenixbb] Optimizing the Geometry Weight for a 2.76 A structure
Pavel Afonine
PAfonine at lbl.gov
Thu Apr 1 16:54:58 PDT 2010
Hi Sam,
> 3. How do I optimize the weight on geometry in refinement? My PI said
> that phenix can do it but not for twinned structures (my structure is
> twinned). Can the new version of phenix do weight optimization for
> twinned structures? How? If not, what's the best way for me to do it
> manually?
>
you can do it manually (by trying different wxc_scale and wxu_scale) or
let phenix.refine do it automatically (using optimize_wxc=true and/or
optimize_wxu=true). It has nothing to do with twinning.
Pavel.
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