[phenixbb] rotamers

Ed Pozharski epozh001 at umaryland.edu
Wed Mar 23 10:17:38 PDT 2011

Does refine restrains side chain rotamers to, say, the closest one from
the rotamer dictionary or, perhaps, the starting coordinates (I find
this less likely, of course)?  I am particularly interested in what
would happen if a side chain is disordered and there is no strong
electron density to support a specific conformation.  Do I understand
correctly that the real-space refinement for the side chains is on by
default, which means that disordered side chains would tend to stay
within their biased density?

I apologize if I missed the description of this in the manual, just
point me to the right section then.



"I'd jump in myself, if I weren't so good at whistling."
                               Julian, King of Lemurs

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