[chimera-dev] Non-standard residues

Elaine Meng meng at cgl.ucsf.edu
Tue Jul 14 15:13:42 PDT 2009


Please see previous answers to identical question:

<http://www.cgl.ucsf.edu/pipermail/chimera-dev/2009/000603.html>
<http://www.cgl.ucsf.edu/pipermail/chimera-dev/2009/000604.html>

On Jul 14, 2009, at 1:09 PM, Alexander Gawronski wrote:

> Hello,
>
> Is there a way to select only standard residues with the "select"  
> command?
>
> I was also wondering if this would work to minimize only H bonds:
> runCommand('select @H')
> runCommand('minimize freeze unselected nogui true')
>
> If not, how can it be done? When I try the inverse (selecting  
> everything before Hs are added), I get "ValueError: underlying C++  
> Atom object is missing", which I assume occurs because atoms are  
> removed by Dock Prep.
>
> Thanks in advance!
>
> Alex Gawronski
> Carleton University



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