25 Nov
2010
25 Nov
'10
9:04 p.m.
thank you for your prompt answer. You understood me correctly:
constraint #1: occupancy(AGLU A 30) + occupancy(BGLU A 30)=1 constraint #2: occupancy(AGLU A 30) = occupancy(AALA A 451) is exactly what I want. Nevertheless, this can be done in SHELXL, but I hoped it could be done in phenix.refine too.
Ok, this is exactly what phenix.refine does automatically. I said it in previous email, and this is what is written in the documentation: http://www.phenix-online.org/documentation/refinement.htm#anch20 All the best! Pavel.