[Chimera-users] Help in executing python script in per-frame analysis

Ankit Agrawal aka895 at gmail.com
Thu Feb 5 03:41:14 PST 2015


Hi
I am analysing a protein molecule (MD simulations). I wrote a python script
to calculate inertia for the protein and ran it over 40000 frames. I got a
data in log file but it is creating a ellipsoid around the molecule.

I want 3 axes of the ellipsoid to be shown in that protein molecule not the
ellipsoid as it covers the whole protein molecule. So that I can easily
visualize the movement of all 3 axes of ellipsoid over the 40000 frames
(means how the axes are changing during trajectory run).

Thanks
Ankit
Department of Chemical Science
IISER-Mohali, India
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