[Chimera-users] Measure inertia?

Elaine Meng meng at cgl.ucsf.edu
Thu Jan 24 15:53:37 PST 2013


Hi Yen,
It is simply a calculation of principal axes where atoms are mass-weighted points, see:
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/measure.html#inertia>

I doubt someone would publish a paper about such a fundamental calculation, so although I did not read the J Mol Graph paper, it is likely to be a different method.

The person who wrote the "measure inertia" code is away currently, but if there is anything else to say, he may send another reply later.
Best,
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 Jan 24, 2013, at 1:07 PM, Yen-Ting Lai wrote:

> Hi,
> What's the formula that's used by "measure inertia"?
> I found a paper: 
> An ellipsoidal approximation of protein shape. J. Mol Graph (1983)
> Does the "measure inertia" use the same method?
> Thank you!
> Yen




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