[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



More information about the phenixbb mailing list