[Chimera-users] mutation of residue

[Elaine Meng]

Hi Helen,
Take a look at the Rotamers tool (under Tools... Structure Editing) -  
I think it does exactly what you want. Besides displaying the  
rotamers of your chosen residue type and their library probability  
values, it can evaluate clashes, H-bonds, etc. and allows you to  
incorporate a chosen rotamer back into the structure.

Here is the man page for the Rotamers graphical interface:
http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/rotamers/ 
framerot.html

There is also a command implementation, swapaa:
http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/swapaa.html

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html

On Nov 15, 2007, at 10:35 AM, hjoseph at brandeis.edu wrote:

> Hi everyone,
>   I want to model my mutated residue into crystal structure and see
> its interactions. If anyone knows and easy way of doing it in Chimera
> please let me know.
>
>   Thanks everyone,
>   Helen Josephine
>
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