[phenixbb] fixing rotamers with coot

Nigel Moriarty nwmoriarty at lbl.gov
Thu Mar 19 13:32:39 PDT 2015


It's actually part of the input, either part of the Phenix system or by the
user. If coot doesn't know about a particular residue you need to find it.
If you didn't provide it, it may have been generated automatically by the
refinement or it's in the distribution.

Do you know which residue is the problem?



Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Thu, Mar 19, 2015 at 7:03 AM, Benoît Masquida <b.masquida at unistra.fr>

> Dear all,
> I am using Coot 0.7.2 and phenix 1.9-1692 on Ubuntu 13.10 and I have the
> following error message when I try to regularize zone, edit Chi angles or
> fix rotamer outliers.
> Error message :"Refinement setup failure. Failed to find restraints for :
> 'residue list' "
> Apparently a cif dictionary is missing that should be output by phenix to
> be used by coot. Does anyone has any idea? Thanks in advance.
> Benoit
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