[phenixbb] Arg, Glu, etc. naming conventions
Mark A Saper
saper at umich.edu
Sun Feb 14 13:18:31 PST 2016
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 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.
> 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 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
> Tel: +49-(0)234/32-24463, Sekr. -24461, FAX: -14762
> ORCID: 0000-0003-4874-372X
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