16 Sep
2010
16 Sep
'10
4:06 p.m.
Hi Simon,
So just to clarify further - if i am having problems with the final geometry of a model (eg clashscore as reported by molprobity), is it an appropriate trick to add hydrogens and then refine in phenix.refine using the riding hydrogens option, or does this not really change anything?
depending on what kind of geometry problems you have, adding and refining with "riding" hydrogens should help to improve the geometry. If (for whatever reason) it doesn't help, please contact me off-list and I will investigate. Pavel.