VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Sep 15 2010 - 08:15:50 CDT

On Wed, 2010-09-15 at 11:43 +0000, Germain Vallverdu wrote:
> Hello VMD,
>
> I would like to draw a box in order to see the edge of a crystal cell.
>
> I saw that the plugins PBCTools can do that but I did not success in using
> commands that the plugins provides.
>
> http://www.ks.uiuc.edu/Research/vmd/plugins/pbctools/#x1-50004.1
>
> How do I set the parameters ? What is the true syntax ? I tried different
> syntaxes of
>
> pbc set cell or set cell or pbc cell ...

germain,

that command sets the cell dimensions.

the command that draws the cell is:
pbc box

please note that VMD does not internally store
the coordinates of the system cell origin (for
legacy reasons), so you have to set it manually
(or rather the cell center) on the pbc box command line.

axel.

> I put arguments in {} or [] ... and I did not find the true syntax.
>
> Thank you for your help
>
> Germain
>
>
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.