[gmx-users] Can GROMACS mutate a residue?

[Lee Soin]

Thanks! And I've learned that Pymol can also do the job.

2008/7/12 DEEPESH AGARWAL <deepesh.iitd at gmail.com>:

> Hi,
>
> In addition to what Justin has suggested, VMD has a tool to mutate a
> residue- Extensions>Modeling>Mutate residue.
>
> Deepesh
>
>
> On 7/12/08, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> >
> >
> > Lee Soin wrote:
> >> Hi!
> >> Is there a command in GROMACS that can substitute the atoms of a whole
> >> residue for another? This is quite useful in doing mutation simulations.
> >> Or if that's not possible, how should I mutate a residue? Thanks!
> >
> > I would use a program like DeepView (Swiss-PDBViewer), or maybe Modeller.
> >
> > -Justin
> >
> >>
> >> --
> >> Sun Li
> >> Department of Physics
> >> Nanjing University, China
> >>
> >>
> >> ------------------------------------------------------------------------
> >>
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> > --
> > ========================================
> >
> > Justin A. Lemkul
> > Graduate Research Assistant
> > Department of Biochemistry
> > Virginia Tech
> > Blacksburg, VA
> > jalemkul[at]vt.edu | (540) 231-9080
> > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> >
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-- 
Sun Li
Department of Physics
Nanjing University, China
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