[Chimera-users] radius of gyration
meng at cgl.ucsf.edu
Tue Feb 14 14:45:10 PST 2012
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.
Maybe someone with python skills can suggest a complete route.
Sorry about that,
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?
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