[phenixbb] No clash evaluation between symmetry mates in phenix.refine
yamashita at castor.sci.hokudai.ac.jp
Wed Dec 8 07:05:37 PST 2010
Thank you very much for your reply.
OK, I stop worrying about solvent mask handling.
Maybe my diffraction data have many problems (anisotropy, packing
disorder, etc.) rather than solvent mask...
Thanks again for all,
2010/12/8 Ralf W. Grosse-Kunstleve <rwgk at yahoo.com>:
> Hi Keitaro,
>> By the way, in this situation, I'm wondering what the appropriate way
>> for bulk solvent correction is.
>> How is the solvent mask calculated in phenix.refine?
>> Is the protein region, which overlaps with symmetry mates, included
>> in solvent mask with smaller occupancies?
> No, we're not doing anything special. -- I think it would be quite tricky
> to do something that's theoretically better than what we have right now,
> and I wouldn't be surprised if it didn't make any significant difference
> for the end results, after all the work.
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