VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Feb 17 2004 - 10:32:22 CST
- Next message: John Stone: "Re: ca contact map"
- Previous message: Streiff, John H.: "RE:removing residues/fragments from the system"
- In reply to: Marcin Krol: "Customizing vdw radius"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Marcin,
You could either modify the radius of the atoms in the molecule, or
another way to do this would be to use the graphics commands
"draw sphere { x y z } radius r" to draw the spheres for yourself.
See the VMD User's guide for more info on this:
http://www.ks.uiuc.edu/Research/vmd/current/ug/node112.html
To modify the atom radii, you'd need to use VMD's 'atomselect' command
similar to this:
set sel [atomselect top "index 1"]
$sel set radius 5.0
More atomselect commands are in the User's guide here:
http://www.ks.uiuc.edu/Research/vmd/current/ug/node77.html#table:ug:keywords:cont
http://www.ks.uiuc.edu/Research/vmd/current/ug/node176.html#ug:topic:atomselect
Thanks,
John Stone
vmd_at_ks.uiuc.edu
On Tue, Feb 17, 2004 at 10:57:21AM +0100, Marcin Krol wrote:
> Dear John and VMD users,
>
> I would like to display a molecule (standard line representation) and add
> balls centred on atoms, the radius of each ball would correspond to value
> of a given property (eg. charge). I would then have ball-coded
> atom-property information. However, I don't know if and how I can do it in
> VMD. Thank you in advance for any clues
>
> marcin
>
>
> Dr Marcin Krol
> Zaklad Bioinformatyki Collegium Medicum UJ
> Kopernika 7E
> 31-501 Krakow
> tel/fax (012) 422-77-64
> e-mail mykrol_at_cyf-kr.edu.pl
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
- Next message: John Stone: "Re: ca contact map"
- Previous message: Streiff, John H.: "RE:removing residues/fragments from the system"
- In reply to: Marcin Krol: "Customizing vdw radius"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]