[phenixbb] No clash evaluation between symmetry mates in phenix.refine

Keitaro Yamashita yamashita at castor.sci.hokudai.ac.jp
Tue Dec 7 04:36:08 PST 2010

Dear Phenix developers,

I have a question about phenix.refine.

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)

So I want phenix.refine to ignore clashes between symmetry mates.
Can phenix.refine exclude any interaction between symmetry mates from
geometric term in target function: E = E(x-ray) + E(geometry)?
Is there any option?

Thank you very much in advance,

K. Yamashita

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