29 Apr
2010
29 Apr
'10
6:23 p.m.
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