[Chimera-users] Select residues with missing atoms?

[Elaine Meng]

Hi Oliver,
Attached is a script that Eric made me years ago to select all the incomplete residues.  I just did a spot-check on 5BTR and opening this script did select all the residues with missing atoms that were listed in the PDB header.

I hope this helps,
Elaine
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Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

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P.S. I don?t see it listed in this Chimera Python-scripts page, will add it soon?

<http://www.cgl.ucsf.edu/trac/chimera/wiki/Scripts>

> On Jan 19, 2016, at 1:59 PM, Oliver Clarke <olibclarke at gmail.com> wrote:
> 
> Hello,
> 
> Is there any way to select/color all protein residues with incomplete sidechains? 
> 
> This would be very helpful when looking at a structure and deciding whether it is necessary to run dock prep to fill them in prior to performing other calculations (e.g. sometimes I am only concerned with what is going on around a ligand binding site).
> 
> Cheers,
> Oliver.
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