[phenixbb] Sulfate ion on 2-fold axis

J. Fleming moloch525 at gmail.com
Sat Apr 30 21:13:57 PDT 2011

Hi all,

  I have a sulfate ion sitting on a 2-fold axis of symmetry.  If I set all
the atom occupancies to 0.5 and refine using phenix.refine (Phenix v. 1.5-2)
the occupancies are changed to 0.00 for the sulfur, 1.00 for three of the
oxygen's, and 0.72 for the fourth oxygen.  Can anyone explain this?

Thanks in advance,
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