
Hi all, Can Chimera determine (or has a script been written to determine) the radius of gyration for a pdb structure? Dan -- ____________________________ Daniel Gurnon, Ph. D. Associate Professor of Chemistry and Biochemistry DePauw University Greencastle, IN 46135 p: 765-658-6279 e: danielgurnon@depauw.edu

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 ---------- 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

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?
So..... are we talking about the radius of gyration from the center of geometry, or the radius of gyration from the principal axis? --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu
participants (3)
-
Daniel Gurnon
-
Elaine Meng
-
Eric Pettersen