I also see this relatively frequently when refining models in low res maps.
On Thu, 13 Oct 2016 09:29:41 +0100, Martin Montgomery <m...@mrc-mbu.cam.ac.uk>
>I have been seeing this occasionally with coot 0.8.4 onward (currently using
>0.8.7-pre) even with data to 2.5 Å. It usually happens if I use the “auto fit
>rotamer" on a neighbouring residue.
>It can be tricky to sort out sometimes taking several goes with “regularise
>zone” then “real space refine”.
>Martin G Montgomery
>ATP Synthase Group
>MRC Mitochondrial Biology Unit
>Wellcome Trust/MRC Building
>Cambridge Biomedical Campus
>> On 13 Oct 2016, at 02:45, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote:
>> On 12/10/2016 13:43, Kevin Jude wrote:
>>> I am frequently getting distortions of proline residues during real space
>>> refinement -
>>> specifically, close approaches between C and CD (pictured). It's hard to
>>> nail down exactly
>>> what is happening but it seems like planar peptide restraints aren't
>>> working for Pro
>> That's weird - I have not seen that before. The C-N-CD angle restraints
>> should keep these atoms apart. You should tabulate ligand distortions to