[phenixbb] adding hydrogens -> increasing clash score

[Pavel Afonine]

Hi Tanya,

please try the latest nightly build dev-833:

http://www.phenix-online.org/download/nightly_builds.cgi

and let me know if the problem persists.

Pavel.


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