VMD-L Mailing List
From: Boris Steipe (boris.steipe_at_utoronto.ca)
Date: Thu Jun 23 2011 - 09:00:10 CDT
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3Vee calculates solvent accessible volumes in protein structures.
http://3vee.molmovdb.org/
B.
On 2011-06-23, at 7:12 AM, divya nayar wrote:
> Hi
> How can I calculate the volume of hydration shells of a protein solvated in water using VMD or Tcl scripting?
> Can anyone suggest me a way or some package to do so. I have used CHARMM force filed for simulations with TIP3P water.
>
> Thanks
> Divya
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