[Chimera-users] rename a residue?
Eric Pettersen
pett at cgl.ucsf.edu
Wed Jun 18 13:32:34 PDT 2014
Hi Julian,
It's pretty easy. This command will do it:
setattr r type new-residue-name residue-spec
e.g.:
setattr r type CYX :121.a
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
http://www.cgl.ucsf.edu
On Jun 18, 2014, at 1:26 PM, Julian Tirado-Rives <julian.tirado-rives at yale.edu> wrote:
>
> Dear Chimera team,
>
> thanks for all the work you put in into a very, very, useful
> program. I just have a question that I am hoping is just my inability
> to find the proper command ... is there a way to rename a residue
> before writing a PDB?
>
> I often use chimera as pre-preparation step before getting into
> some particular calculation packages, which often require different
> names for residues to indicate tautomers, protonation, etc. and it
> would be nice to do it from chimera rather than take the PDB's through
> a rather annoying set of scripts, sed's, or even text editors!
>
> Thanks in advance,
>
> - Julian -
> --
>
> -----------------------------------------------------------------
> | Julian Tirado-Rives | |
> | Department of Chemistry | Phone: (203)432-3356 |
> | Yale University | Fax: (203)432-6144 |
> | P. O. Box 208107 | email: Julian.Tirado-Rives at yale.edu |
> | New Haven, CT 06520-8107 | |
> -----------------------------------------------------------------
>
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