Re: [phenixbb] Arg, Glu, etc. naming conventions

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 | [email protected] | +1 (734) 764-3353 On Feb 14, 2016, at 4:07 PM, Eckhard Hofmann 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:

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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. [email protected] phone (734) 764-3353 fax (734) 764-3323

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-- Prof. Dr. Eckhard Hofmann 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