[Chimera-users] custom residue label

[Elaine Meng]

Hi Sasha,
If "programatically" includes Chimera commands, you could use a command something like:

setattr r label "Lys-57" :656.e

Non-programatically, it can also be done by selecting the residue and then using the menu (Actions... Label... residue... custom).

I don't know python, so if that is what you meant, somebody else will have to answer.

However, you might just want to edit the PDB file in the first place to avoid the bother.  You could text-edit it "manually" or use one of these handy PDB-editing web servers:

<http://www.igs.cnrs-mrs.fr/Caspr2/magicPDB.cgi>
<http://dicsoft2.physics.iisc.ernet.in/pdbgoodies/inputpage.html>
<http://www.canoz.com/sdh/renumberpdbchain.pl>

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

On Jun 17, 2011, at 1:49 PM, Sasha Tkachev wrote:

> How to programmatically set a residue label to an arbitrary text, e.g.  
> to say something like:
> 
> rlabel :656.E "Lys-57"
> 
> What happens in some structures, like for instance 1U35 structure that  
> contains H3 proteins, is that residue numbers in a PDB file is  
> different from residue number of the sequence. In this particular  
> example Lys57 of H3 on chain E maps to PDB residue number 656. So if I  
> use default labeling I am getting wrong results...
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