AMBER Archive (2001)

Subject: Measuring rigid-body rotation with AMBER

From: samantha hughes (s.j.hughes_at_ic.ac.uk)
Date: Fri Jan 19 2001 - 09:23:24 CST

Hi All,

I was wondering if anyone knew of a neat way to measure the
rotation of a whole group of atoms with respect to a reference
set. I have a modular protein, where if you superimpose one
domain with the reference, another domain is rotated as a rigid
body compared to the reference set. How can I get a numerical
value for this rotation using the AMBER suite of programs (advice
on any other programs that would do the same would also be
appreciated).

Thanks,

Samantha

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Samantha Hughes
Department of Chemistry
Imperial College of Science, Technology and Medicine
Exhibition Road
London WC1N 2AN
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