1 Apr
2010
1 Apr
'10
11:54 p.m.
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.