[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.


More information about the phenixbb mailing list