VMD-L Mailing List

From: Caio S. Souza (caiobiounb_at_gmail.com)
Date: Mon Apr 22 2013 - 10:03:32 CDT

Hi,
As Axel said you can use the evaltcl function (located in the VMD module)
to pass a string that will be executed by the TCL interpreter.
E.g. VMD.evaltcl('package require pbctools; pbc wrap -center com -centersel
"protein" -all') 

--
Caio S. Souza
Laboratório de Biofísica Teórica e Computacional
Universidade de Brasília
2013/4/22 Axel Kohlmeyer <akohlmey_at_gmail.com>
> On Mon, Apr 22, 2013 at 9:00 AM, Olaf Lenz <olenz_at_icp.uni-stuttgart.de>
> wrote:
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> > Hi!
> >
> > On 04/21/2013 06:50 PM, Albert wrote:
> >> pbc wrap -center com -centersel "protein" -all
> >
> > The pbc plugin is a pure Tcl plugin.
> > I do not know whether it is possible to call Tcl commands from VMD's
> > Python. If that is possible, that is the way to go. Otherwise, I'm
> > afraid you are out of luck.
>
> yes, there is "evaltcl" which passes a string to the Tcl interpreter
> and evaluates it.
>
> axel.
>
> >
> > Olaf
> > - --
> > Dr. rer. nat. Olaf Lenz
> > Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
> > Phone: +49-711-685-63607
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>
>
> --
> Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
>
>