[gmx-users] OT: script to mutate residues

[Erik Marklund]

You can script pymol. Something like pymol -c -q  mutation_script.pml.

/Erik

1 jun 2007 kl. 13.53 skrev Martin Höfling:

> Hi all,
>
> this is slightly OT but maybe someone has already written a quick  
> hack or so:
>
> I wanna mutate a residue in a pdb/gro file with an other one  
> (matching to
> backbone). There are several programs like pymol, swisspdb viewer  
> etc...
>
> ... but is there sth. like a script to do this automatically without
> interactive input?
>
> like:
>
> mutate --input myprotein.pdb --output mymutated.pdb --resid 12 -- 
> tores K
>
> Cheers
> 	Martin
>
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_______________________________________________
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,	75124 Uppsala, Sweden
phone:	+46 18 471 4537		fax: +46 18 511 755
erikm at xray.bmc.uu.se	http://xray.bmc.uu.se/molbiophys