AMBER Archive (2009)

Subject: [AMBER] How to calculate cavity volume from MD structures?

From: ben rodriguez (bramber_at_live.com)
Date: Tue Jan 20 2009 - 16:21:43 CST

Hi,

I am trying to find the volume of a cavity from a series of MD snapshots. My question: is there a tool included in Amber, or otherwise (commercial?) that will perform a volume calculation on a series of structures. I am trying to find the volume of the distal heme pocket of myoglobin mutants.

Thanks,

Ben Rodriguez

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