VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Jun 23 2011 - 13:42:44 CDT

On Wed, Jun 22, 2011 at 3:17 PM, Adrian Roitberg <roitberg_at_qtp.ufl.edu> wrote:
> Hi,
>
> Is there a simple way to align the moments of inertia of a selection of
> atoms to the nominal x,y,z axes vmd uses ?

hi adrian,

could this be what you are looking for?
http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/orient/

cheers,
    axel.

>
> Thanks !
>
> --
>                           Dr. Adrian E. Roitberg
>                             Full Professor
>               Quantum Theory Project, Department of Chemistry
>                           University of Florida
>
> on Sabbatical in Barcelona until August 2011.
> Email roitberg_at_ufl.edu
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.