[Chimera-users] Rename atoms...and chains, residue numbers

Elaine Meng meng at cgl.ucsf.edu
Thu Jan 28 14:34:00 PST 2010


Thanks, Jonathan for your suggestions.
In the meanwhile, however, maybe one of these PDB-editing web servers  
will come in handy:

http://www.igs.cnrs-mrs.fr/Caspr2/magicPDB.cgi

http://dicsoft2.physics.iisc.ernet.in/pdbgoodies/inputpage.html

Both make you choose the file before you can see the options, but can  
do several things, including changing chain ID and renumbering.
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 Jan 28, 2010, at 1:56 PM, Jonathan Sheehan wrote:
>
> Hi-
> Following up on this, I'd like to offer a feature request regarding
> structure editing.
>
> Two of the most common tasks I need to do when constructing a model
> are: renaming the chains in the structure, and renumbering stretches
> of residues. I can imagine two menu items similar to
> "Actions->Atoms/Bonds->Delete" named "Set chain ID..." and "Renumber
> residues from..." that could operate on the current selection.
>
> I suspect these menu options (or something similar, maybe under
> "structure editing"?) would be helpful to many folks. It could be a
> lot faster / easier than generating the right awk line or venturing
> into Emacs' PDB-mode. :-)
>
> Would this be difficult to implement?
>
> Thanks for considering it,
> -Jonathan
>
> -- 
> Jonathan Sheehan, Ph.D.
> Comput. Biol. Educ. and Outreach
> Vanderbilt Univ. Ctr. for Struct. Biol.
> 5138 MRB3, 465 21st Avenue S.
> Nashville, TN 37232-8755
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