[Chimera-users] torsion angles to x,y,z coordinate

Elaine Meng meng at cgl.ucsf.edu
Fri Mar 22 10:51:08 PDT 2013


Hi Chinh,
You can change torsion angles using the Adjust Torsions GUI (in menu under Tools... Structure Editing)
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/editing/editing.html#adjust>

... or the rotation command
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/rotation.html>

If you have lots of values, you would probably want to script it, but it probably wouldn't be that easy/convenient since the commands (or python, if you do a python script) will need to specify the 4 atoms used to define each torsion.

I hope this helps,
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 Mar 22, 2013, at 12:33 AM, Chinh Su Tran To wrote:

> Dear Chimera users,
> 
> I obtained some dihedral angles around some rotatable bonds of my molecule's conformations. I used GA to get new sets of those torsions, now I need to convert them back to x,y,z coordinates (new conformations)
> 
> Is it possible to do that in Chimera? Please help.
> 
> Thank you.
> Chinh




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