Thanks, I will try the programs you suggested. Bobo On Tue, Oct 7, 2014 at 6:46 PM, Elaine Meng <meng@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. Best, Elaine ---------- 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@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@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