VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Aug 28 2014 - 03:41:21 CDT

Hi Max,

see "measure sasa", the radius of the probe can be chosen and exclusions to
what is "space" or not can be made.

Norman Geist.

> -----Ursprüngliche Nachricht-----
> Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im
> Auftrag von Ebert Maximilian
> Gesendet: Mittwoch, 27. August 2014 20:22
> An: <vmd-l_at_ks.uiuc.edu>
> Betreff: vmd-l: Accessible volume around an atom
>
> Hi there,
>
> I am looking for a possibility to draw in VMD a spherical volume with a
> giving radius around an atom but only include space not occupied but
> other molecules. For example I have a protein loaded in VMD and I draw
> a sphere around an atom I want the sphere volume minus the protein VDW
> volume. Is this possible?
>
> I am trying to display a solvent accessible volume so to speak.
>
> Thank you,
>
> Max 

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