VMD-L Mailing List

From: Stephen Cox (stephen.cox.10_at_ucl.ac.uk)
Date: Mon Feb 07 2011 - 04:00:48 CST

Thanks, the plugin does the trick!

On Sun, Feb 6, 2011 at 9:43 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> hi steve,
>
> [...]
>
>
> > However, it would be nice to change the graphical representations of all
> the
> > loaded frames, so that for example Carbon atoms (name C) are "VDW 1.000
> > 23.000", Oxygens (name OW) are "VDW 0.800 23.00" and Hydrogens (name HW)
> are
> > "VDW 0.500 23.000". I tried adding something like
>
> the clonerep plugin is your friend.
>
> http://www.ks.uiuc.edu/Research/vmd/plugins/clonerep/
>
> just visualize one of the molecules and clone it to the
> rest of the frames.
>
> let me know, if you need help or run into problems.
>
> cheers,
> axel.
>
> >
> > foreach f [lsort [glob *.xyz]] {
> > mol new $f type xyz waitfor all
> > mol modselect 0 0 name OW
> > mol modstyle 0 0 VDW 0.800 23.000
> > addrep 0
> > .... ....
> > }
> >
> > Which I took from logging the commands to a console, but it only works
> for
> > the first frame... I think I need to loop over the second "0" over all
> > molecules but I'm not too familiar with Tcl, so any help would be
> > appreciated.
> >
> > Cheers,
> >
> > Steve
> >
>
>
>
> --
> Dr. Axel Kohlmeyer
> akohlmey_at_gmail.com http://goo.gl/1wk0
>
> Institute for Computational Molecular Science
> Temple University, Philadelphia PA, USA.
>