[Chimera-users] Principal axis of inertia

[Tom Goddard]

Hi JD,

  Attached is a script that computes the inertia axes of molecules.  
Open a molecule, then open the script.  It will print the axes in the 
reply log and show an inertia ellipsoid.  It is weighting the atoms by 
their atomic number, not by the average isotopic mass.  Tested in 
Chimera 1.2498.  Should work in older Chimera versions.

    Tom

Jean-Didier Maréchal wrote:
> Hi everyone,
>
> I was wondering if there is a method available to calculate the
> principal axis of inertia of a protein (or a part of a protein) in
> chimera?
>
> If not what would be the easiest way to move forward?
>
> All the best,
>
> JD
>
>   


-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: inertiapdb.py
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20080319/1c556897/attachment.ksh>