[phenixbb] Riding H

Jianghai Zhu jzhu at idi.harvard.edu
Fri Oct 29 14:01:01 PDT 2010

Hi all,

If I use the riding H atoms come out of phenix.refine in molprobity, it gives me a decent clash score.  But if I strip the H atoms and let molprobity to add H atoms, I get a much worse clash score.  I saw the manual of phenix recommends the first method.  So what is the cause of the difference here?  I know long time ago that phenix and molprobity used different bond length to add the riding H atoms. I don't know what the situation is now.  Does phenix.refine refine the riding H atom positions?


-- Jianghai

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