Dear all, I'm refining complex structure against X-ray diffraction data with packing disorder. (Some domains overlap with their symmetry mates (4-fold), so their occupancies are set to 0.25)
I'd like to know whether refinement programs can exclude any interaction among symmetry mates from geometric term in target function. Can it be done only for specific chains? I was thankfully taught phenix.refine could do that with the option pdb_interpretation.custom_nonbonded_symmetry_exclusion in phenixbb. I'd very much like to know whether Refmac5, CNS or other programs can do that. (When I tried to refine using Refmac5, the output told many vdw repulsions with symmetry mates.) Thank you very much in advance, K. Yamashita
