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

Keitaro Yamashita yamashita at castor.sci.hokudai.ac.jp
Wed Dec 8 07:05:37 PST 2010

Dear Ralf,

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,

K. Yamashita

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.
> Ralf
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