meng at cgl.ucsf.edu
Mon Feb 29 15:26:51 PST 2016
You can do a virtual mutation, i.e. change one amino acid type to another, with the “swapaa” command. Although it will try to use a reasonable conformation of the new sidechain, it will not predict how any other parts of the structure might change. The other parts of the structure will stay exactly the same.
See the “swapaa” manual page for command options and several examples:
I hope this helps,
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
> On Feb 28, 2016, at 9:54 PM, Andrew N <derm101 at live.com> wrote:
> Is it possible to change a single amino acid to see 3D structure changes?
> Thank you.
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