VMD-L Mailing List

From: Eduard Schreiner (eduard.schreiner_at_rub.de)
Date: Thu Oct 05 2006 - 08:20:54 CDT

On Thursday 05 October 2006 12:20, Enzo Vitale wrote:
> Dear VMDers,
>
> is it possible to add new atoms to a given molecule from the TCL interface?
>
> In particular, I would very much like to have some of the periodic replicas
> of a molecule (those drawn by the 'Periodic' tab in the 'Graphical
> Representations'
> window) becoming part, together with the original atoms, of a new
> bigger molecule.
>
> Any suggestion ?
>
> Thank you in advance,
> Enzo
>
>

Hey Enzo,

you could calculate the positions of the periodic replica with
the moveby command, save these as xyz files, merge the files
outside of vmd, and load it as a new molecule.
Might be i.m wrong but in vmd itself i think there is no possibility.

eddi 

-- 
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Eduard Schreiner                     e-mail: eduard.schreiner_at_theochem.rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-22121
Ruhr-Universitaet Bochum - NC 03/52         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                              http://www.theochem.rub.de
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