[phenixbb] adding hydrogens -> increasing clash score

Pavel Afonine pafonine at lbl.gov
Fri Jul 29 12:27:24 PDT 2011

Hi Tanya,

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:
> Hi!
>  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?
> Thanks,
> Tanya

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