How does one calculate a simulated annealing omit map in cases of non crystallographic symmetry? The omit map is being used to identify the presence and configuration of a ligand and surrounding residues. The omit region therefore will contain the ligand and residues within hydrogen bonding contact. The residues obey NCS. The refinement will not include NCS ( refinement at 2.0 A with ncs leads to worse r/rfree statistics).

with that said should the omit region include all NCS related molecules or just one? If the former, does one average the sa omit mAps to present in a figure?

Thanks,
FR

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