Hi Partha, here is an example of slightly more complex selections: refinement.refine.sites { rigid_body = chain A and (resid 2:135 or resid 410:525) rigid_body = chain A and (resid 136:194 or resid 375:409) rigid_body = chain A and (resid 195:374) rigid_body = chain B and (resid 2:135 or resid 410:525) rigid_body = chain B and (resid 136:194 or resid 375:409) rigid_body = chain B and (resid 195:374) rigid_body = chain C and (resid 2:135 or resid 410:525) rigid_body = chain C and (resid 136:194 or resid 375:409) rigid_body = chain C and (resid 195:374) } see also phenix.refine Manual (Atom selection examples): http://phenix-online.org/documentation/refinement.htm Pavel. Partha Chakrabarti wrote:
Hiya, I have used rigid body refinement in phenix.refine as suggested:
refinement.refine.sites { rigid_body = chain A rigid_body = chain B }
If I have a multidomain protein like kinases, or G proteins which have flexible switches, how can I define the region within a given chain?
Best, Partha
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