[phenixbb] phenix.refine change: support for residues on symmetryelements
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Sun Dec 27 14:20:29 PST 2009
> when I submitted a pdb with some waters on a twofold sym. axis with
> occupancies =1, the PDB wanted occupancies 0.5.
> They do not want to take into account your "taken into account internally".
You can just change it to 0.5 now before or during refinement.
(Occupancy 1 on a two-fold doesn't make sense unless the symmetry is
taken into account.)
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