VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Aug 28 2014 - 13:22:56 CDT
- Next message: John Stone: "Re: Save position of entire molecule and draw it later"
- Previous message: John Stone: "Re: The dreaded VMD / Mac OS 10.9 problems"
- In reply to: Ebert Maximilian: "Accessible volume around an atom"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi,
In addition to the suggestions others have already provided,
you might also have a look at the Extensions|Analysis|VolMap Tool
and see if you can use the "occupancy" or density map types, and
then plot a zero-density isosurface to see where the pocket/cavity is.
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Aug 27, 2014 at 06:22:29PM +0000, Ebert Maximilian wrote:
> 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
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/
- Next message: John Stone: "Re: Save position of entire molecule and draw it later"
- Previous message: John Stone: "Re: The dreaded VMD / Mac OS 10.9 problems"
- In reply to: Ebert Maximilian: "Accessible volume around an atom"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]