<div dir="ltr">Thanks, I will try the programs you suggested.<div><br></div><div>Bobo</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Oct 7, 2014 at 6:46 PM, Elaine Meng <span dir="ltr"><<a href="mailto:meng@cgl.ucsf.edu" target="_blank">meng@cgl.ucsf.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi Bobo,<br>
Aldo is exactly right. You want something like a free-energy calculation or estimation, which Chimera does not do.<br>
<br>
Besides the tool Aldo mentioned, I've also heard of SDM <<a href="http://mordred.bioc.cam.ac.uk/sdm/sdm.php" target="_blank">http://mordred.bioc.cam.ac.uk/sdm/sdm.php</a>> , but I haven't tried either of them myself.<br>
Best,<br>
Elaine<br>
----------<br>
Elaine C. Meng, Ph.D.<br>
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab<br>
Department of Pharmaceutical Chemistry<br>
University of California, San Francisco<br>
<div class="HOEnZb"><div class="h5"><br>
<br>
On Oct 7, 2014, at 3:53 PM, Aldo Segura <<a href="mailto:aldosegura@gmail.com">aldosegura@gmail.com</a>> wrote:<br>
<br>
> Hi Bobo,<br>
> I think Chimera does not have such capability. I would suggest you trying with FoldX: <a href="http://foldx.crg.es" target="_blank">foldx.crg.es</a><br>
> Best,<br>
> Aldo<br>
><br>
> 2014-10-07 17:04 GMT-04:00 <<a href="mailto:bobo2412@gmail.com">bobo2412@gmail.com</a>>:<br>
> Hi,<br>
> 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?<br>
> Thanks,<br>
> Bobo<br>
<br>
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