VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Thu May 20 2004 - 13:35:08 CDT

On Thu, 20 May 2004, John Stone wrote:

hi,

JS>
JS> Hi,
JS> I've been wanting to come up with a better solution for this
JS> particular problem since this is something one would ideally want
JS> to do very easily. A first stopgap measure would be to do something
JS> with a simple script that replicates representations from one molecule

what do you think about the attached script?
that should do it for the time being.
i also hacked together a little gui plugin
(i got too annoyed with having to catch up
on administrative work on a bank holiday).

please check it out and let me know, what you think.
i'll have another look tomorrow, when i am more awake again.

enjoy,
        axel.

JS> to the next, which shouldn't be too hard to write. That would allow it
JS> to be done with the existing VMD versions people have installed. It would
JS> definitely be better if this was a core feature and was integrated nicely
JS> into the GUI of course. I'll see what I can do.
JS>
JS> John
JS>
JS> On Thu, May 20, 2004 at 09:34:14AM +0200, Axel Kohlmeyer wrote:
JS> >
JS> > On Wed, 19 May 2004, Elif Ozkirimli wrote:
JS> >
JS> > >
JS> > >
JS> > > I was wondering if there was a way to copy the representations I create
JS> > > for one molecule to the others.
JS> >
JS> > hi,
JS> >
JS> > i guess the most pragmatic solution would be to use the save state
JS> > function once you have created the visualization for one molecule,
JS> > load the resulting script file into a text editor, duplicate the block
JS> > between 'mol delrep 0 top' to 'mol rename top {...}' from the
JS> > first molecule to the definition of the others, and then load
JS> > this script back into vmd.
JS> >
JS> > axel.
JS> >
JS> > >
JS> > > Thanks
JS> > > Elif
JS> > >
JS> > > ______________
JS> > > Elif Ozkirimli
JS> > > Graduate Research Assistant
JS> > > Purdue University
JS> > > Phone: (765)494-9836
JS> > >
JS> > >
JS> >
JS> > --
JS> >
JS> >
JS> > =======================================================================
JS> > Dr. Axel Kohlmeyer e-mail: axel.kohlmeyer_at_rub.de
JS> > Lehrstuhl fuer Theoretische Chemie Phone: ++49 (0)234/32-26673
JS> > Ruhr-Universitaet Bochum - NC 03/53 Fax: ++49 (0)234/32-14045
JS> > D-44780 Bochum http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
JS> > =======================================================================
JS> >
JS>
JS> 

-- 
=======================================================================
Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer_at_rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================