[phenixbb] adding hydrogens -> increasing clash score
pafonine at lbl.gov
Fri Jul 29 12:27:24 PDT 2011
please try the latest nightly build dev-833:
and let me know if the problem persists.
On 7/29/11 12:18 PM, Tatyana Sysoeva wrote:
> I have probably a very naive question -
> when one includes hydrogens into a refinement of a model build with
> data at ~3.6A clash score should not go up?
> I mean I am including hydrogens for a reason of improving the model
> quality when I cannot fit the sidechains into some density, etc. Can
> it be true that using default 3 macrocycles on a changed (reduced)
> model is not enough to minimize it?
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