[phenixbb] Geometry Restraints

Nathaniel Echols nechols at lbl.gov
Thu Apr 19 06:06:50 PDT 2012

On Thu, Apr 19, 2012 at 8:00 AM, Mario Sanches <mariosan at gmail.com> wrote:
> I see regions with bad clashes solely because during refinement a side chain
> is being fit into a density peak that is to close to another residue atoms.
> I wonder if there is a way to tell the program to avoid clashes even if it
> is at the expense of real-space fitting?

Are you using the automatic rotamer correction?  This performs poorly
at low resolution - 2.9A is about the point where it really breaks


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