[gmx-users] RE:Missing atoms

lloyd riggs lloyd.riggs at gmx.ch
Sun May 30 18:40:07 CEST 2010

----- Original Message -----
From: you zou <zou.you at live.com>
Date: Friday, May 28, 2010 14:41
Subject: [gmx-users] add missing atom
To: gmx-users at gromacs.org

> Hi everyone,

> I have one question about adding atoms that are missing in residue. This atom is OG in SER amino acid. I don't know how can I add this atom to my residue. If I have to add this atom manually how can I find coordinates of that? Or If there is server or software to do this I will be happy if you suggest me its.>

If there are more than one or two residues or pieces missing, just use O or Pymol to mutate the residues to the same residues, and the saved pdb has all the missing atoms.  Then do a quick EM run.

Stephan Watkins
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