[Chimera-users] Energy calculation
bobo2412 at gmail.com
Thu Oct 9 11:27:59 PDT 2014
Thanks, I will try the programs you suggested.
On Tue, Oct 7, 2014 at 6:46 PM, Elaine Meng <meng at cgl.ucsf.edu> wrote:
> Hi Bobo,
> Aldo is exactly right. You want something like a free-energy calculation
> or estimation, which Chimera does not do.
> Besides the tool Aldo mentioned, I've also heard of SDM <
> http://mordred.bioc.cam.ac.uk/sdm/sdm.php> , but I haven't tried either
> of them myself.
> Elaine C. Meng, Ph.D.
> UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> On Oct 7, 2014, at 3:53 PM, Aldo Segura <aldosegura at gmail.com> wrote:
> > Hi Bobo,
> > I think Chimera does not have such capability. I would suggest you
> trying with FoldX: foldx.crg.es
> > Best,
> > Aldo
> > 2014-10-07 17:04 GMT-04:00 <bobo2412 at gmail.com>:
> > Hi,
> > Do you know if chimera can do energy calculation? I have a protein I
> want to mutate some residues and calculate the energy difference before and
> after the mutation. Do you know if I can do that in chimera?
> > Thanks,
> > Bobo
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