[phenixbb] Arg, Glu, etc. naming conventions

[Mark A Saper]

Apparently a torsion angle of –180° is considered very different from 0° because of the NH1.NH2 names.  And the phenix convention is now different from coot.

Mark
_______________________________________________
Mark A. Saper, Ph.D.
Associate Professor of Biological Chemistry, U-M Medical School
New location: Room 3220B, MSRB III   |  saper at umich.edu  |  +1 (734) 764-3353 

On Feb 14, 2016, at 4:07 PM, Eckhard Hofmann <eckhard.hofmann at bph.ruhr-uni-bochum.de> wrote:

> Dear Mark,
> I think Oleg is in the process of writing a little routine to fix problems in pdbs with regard to order of atoms in residues and such. Maybe fixing naming conventions could/will be included.
> Cheers,
> Eckhard
> 
> 
> Am 14.02.2016 um 19:37 schrieb Mark A Saper:
>> Phenix 1.10.1 is flagging several of my Arg residues with bad dihedral angles.  Phenix is much more strict about NH1, NH2 naming conventions then 6 months ago.  Can these be fixed with PDB Tools?  How?  Many thanks in advance.
>> -Mark
>> _________________________________
>> Mark A. Saper, Ph.D.				
>> Associate Professor of Biological Chemistry, University of Michigan
>> Ann Arbor MI  48109-1055 U.S.A.
>> saper at umich.edu     phone (734) 764-3353     fax (734) 764-3323
>> 
>> 
>> 
>> 
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> 
> -- 
> Prof. Dr. Eckhard Hofmann <eckhard.hofmann at bph.ruhr-uni-bochum.de>
> Ruhr-Uni Bochum
> AG Proteinkristallographie, LS Biophysik, ND04/318
> 44780 Bochum
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