[gmx-users] OT: script to mutate residues

Martin Höfling martin.hoefling at gmx.de
Fri Jun 1 13:53:56 CEST 2007

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?


mutate --input myprotein.pdb --output mymutated.pdb --resid 12 --tores K


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