[phenixbb] adding hydrogens -> increasing clash score

Tatyana Sysoeva tatyanasysoeva at gmail.com
Fri Jul 29 12:18:37 PDT 2011


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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