[chimera-dev] changing position for a residue using python

[Jean-Didier Maréchal]

Thanks a lot,
Eric, I was close.
Elaine, I had no idea!!! Thank you very much!

Cheers,
JD

****************************
Dr. Jean-Didier Maréchal
Lecturer
The Computational Biotechnological Chemistry Team
Unitat de Química Física
Departament de Química
Universitat Autònoma de Barcelona
Edifici C.n.
08193 Cerdanyola (Barcelona)
Tel: +34.935814936
e-mail: JeanDidier.Marechal at uab.es
www: http://g <http://asklipio.qf.uab.es>ent.uab.cat/jdidier<http://ent.uab.es/jdidier>


2013/3/27 Eric Pettersen <pett at cgl.ucsf.edu>

> On Mar 27, 2013, at 10:44 AM, Jean-Didier Maréchal wrote:
>
> Hi all,
>
> I have a problem with a prot and it seems that renumbering could help. I'd
> like to automatically add 230 to the residue number of the aa of my second
> chain. As I feared, when looping other residue to change res.id.position,
> my script fails as position can not be modified. How could I do this?
> Should I delete position and re-create it?
>
>
> Though you can't modify res.id.position, you *can* overwrite res.identirely.  So something like:
>
> from chimera import MolResId
> for r in residues:
> r.id = MolResId(r.id.chainId, r.id.position+230, r.id.insertionCode)
>
> --Eric
>
>
>
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