Re: [phenixbb] occupancy refinement

Hi Dilabor,

I tried:

refinement.refine.occupancies.constrained_group { selection = "(chain A and resseq 30) or (chain A and resseq 451)" }

this means there will be one occupancy refined for all atoms in (chain A and resseq 30) and (chain A and resseq 451). That is all atoms in (chain A and resseq 30) and in (chain A and resseq 451) will have one refined occupancy value between 0 and 1. Could you please send the fraction of your PDB file containing atoms in question and explain occupancies of which atoms should be constrained in refinement and how. I think I'm confused now about what you are trying to achieve... Pavel.