Hey all,
is there a script out there that computes the longest extent of a
molecule and determines which atoms define the 'space diagonal'. In
other words, I'm looking for the two atoms in a molecule that are most
distant from each other.
Thanks.
Andreas
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Andreas Förster, Research Associate
Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk
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