[phenixbb] hydrogens in riding model create steric clashes after refinement

amadrona at uci.edu amadrona at uci.edu
Thu Aug 19 15:56:10 PDT 2010

>>> I presume you refine non-H and non-water atoms as isotropic and the
>>> rest
>>> as anisotropic.
>> Acutually I refined everything anisotropic.  Previously I refined waters
>> isotropically but my Rwork and Rfree increased.  Is this a bad idea?
>> BTW Thanks for the tip on iding clashes with the phenix GUI.)
> Actually, at 1.37A resolution it might be a valid thing to do.
> Pavel.
I just calculated unique reflection/parameter ratio including waters = 9.11
329525/36160 so I think I am safe.  Thanks for all of your help.


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