VMD-L Mailing List

From: Boris Steipe (boris.steipe_at_utoronto.ca)
Date: Thu Jun 23 2011 - 09:00:10 CDT

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