[phenixbb] Rigid body refinement question
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Thu Apr 29 11:23:30 PDT 2010
> What do I need to change in my .def file if I want to refine chain A-E
> of a structure as per the defaults but specify a single chain (in my
> case chain L) for just rigid refinement in all cycles?
I think this should work:
refinement.refine.strategy=rigid_body+individual_sites
refinement.refine.sites.individual="chain A or chain B or chain C or chain D or chain E"
refinement.refine.sites.rigid_body=chain L
refinement.refine.mode=every_macro_cycle
Ralf
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