VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Feb 06 2011 - 15:43:12 CST

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.