[Chimera-users] radius of gyration

[Elaine Meng]

Hi Dan,
As far as I know there isn't a command or script to do this.  The center can can be calculated with "define centroid" (works on atoms, can be mass-weighted or not) or "measure center" (works on density maps or atoms, mass-weighted only), but to my surprise I couldn't find a way to do the rest of the calculation, other than to write your own python script.  

<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/define.html#centroid>
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/measure.html#center>

Maybe someone with python skills can suggest a complete route.
Sorry about that,
Elaine
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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 14, 2012, at 12:06 PM, Daniel Gurnon wrote:

> Hi all,
> Can Chimera determine (or has a script been written to determine) the radius of gyration for a pdb structure?
> Dan