[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,
Jon
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