[Chimera-users] volume of an ensemble
R. Andrew Byrd
byrdra at mail.nih.gov
Fri Aug 31 11:57:17 PDT 2012
Dear Chimera Team,
Is it possible to get the total volume that encompasses an ensemble
of structures?
For example, if a docking or structure calculation produces an
ensemble of structures,
can one calculate the volume that encompasses all the members of the
ensemble?
A docking calculation may have one component superimposable and the
second component
represent an ensemble, and it is that ensemble that I would I like a
measure of the total
volume.
Thanks!
Andy
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