Re: [AMBER] Binding site volume calculation

From: David A Case <david.case.rutgers.edu>
Date: Wed, 5 Apr 2017 15:14:29 -0400

On Wed, Apr 05, 2017, Thakur, Abhishek wrote:
>
> I want to know is there any way in amber by which I can measure the
> volume of binding site.

I don't know of any analysis inside the Amber suite that does this. Convert
your initial and final states to PDB-format files, and try POVME, or other
utilities you can find by doing a Google search on something like "volume
binding site"

...good luck....dac


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Received on Wed Apr 05 2017 - 12:30:02 PDT
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