[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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