[phenixbb] adding hydrogens -> increasing clash score
pafonine at lbl.gov
Fri Jul 29 12:39:36 PDT 2011
> On Fri, 2011-07-29 at 15:18 -0400, Tatyana Sysoeva wrote:
>> when one includes hydrogens into a refinement of a model build with
>> data at ~3.6A
> Not sure what you mean by "including into refinement", but if it means
> that hydrogen positions are actually refined... well, you shouldn't do
> that at 3.6A.
good remark! Although it's quite tricky to do it in phenix.refine by
accident so I guess most people mean "riding model" which is what
phenix.refine does by default if H are present in PDB file.
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