VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Nov 25 2010 - 17:10:04 CST

On Thu, Nov 25, 2010 at 7:41 AM, Germain Salvato Vallverdu
<germain.vallverdu_at_univ-pau.fr> wrote:
> Hi all,
>
> I would like to visualise CONTCAR or POSCAR file with VMD. I can do that
> because that format are available in VMD thanks to the vasp plugin. But
> I would like to draw the cell edge of the crystal.
>
> From the pbc plugins I tried that commands :
>
> pbc set {5.7 5.7 5.7} -all

why do you set the box? the
POSCAR reader should read it from the file.

as for the location of the box, you can set the position
for the box with a command line option to pbc box.
(-center ?)

for details see the online documentation

axel

> pbc box -color red -style tubes -width 1
>
> That draw a nice box but how can I control the position of the box ? For
> exemple I would like to set one corner of the box to the origin or to
> the coordinate of the atom at the origin.
>
> Second question, what about non ortorhombic cell ?
>
> Thanks for your help
>
> Germain
>
>
> --
> Matre de Confrence
> Universit de Pau et des pays de l'Adour
> IPREM - ECP - CTR
> germain.vallverdu_at_univ-pau.fr
> 05 59 40 78 51
> http://germain-salvato-vallverdu.blogspot.com/
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.