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From: Markus Laub (markus.laub_at_uni-essen.de)
Date: Wed Oct 22 2003 - 07:37:44 CDT

I would like to calculate angles between two subunits of a protein. The
idea is to calculate the principal axes of inertia for each molecule
and then calculate the angles between the x, y and z-axes.

Because I'm not familar with programmimg I was looking for some scripts
in the VMD Script Library and found one from Paul Grayson called
"orient" which calculates and draws the principle axes of inertia for
molecules. That works well but was is missing is the calculation of the
angles. Is there anybody out there who can help me with this problem?
Or to be more fortright who can put together a script which makes the
necessary calculations.

Greetings,

MArkus