VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Mon Jun 20 2005 - 12:58:41 CDT

On Mon, 20 Jun 2005, Andrea Carotti wrote:

dear andrea,

seems like i found (another?) 'customer' for my clone_reps script.

please have a look at:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part7.html#chap9_sect8

to use it, load the molecules, switch to molecule 0
and create the visualization that you want for that
molecule only. then load the script, e.g. with
'source clone_reps.tcl' and do

set nmols [molinfo num]
for {set i 1} {$i < $nmols} {incr i} { clone_reps 0 $i }

the easiest way to handle this repeatedly is probably to
append those two lines to the clone_reps.tcl file so they
are loaded automatically.

ciao,
        axel.

AC> Dear all,
AC> I'm not familiar in doing scripts in vmd and i apologize for that.
AC> I need a simple script for the selection and the representation of only a
AC> residue of my pdb files.
AC> I'll start vmd with the command vmd -m *.pdb (30 pdbs of complexes in a
AC> directory)
AC> so i'll have vmd with 30 molids in it.
AC> I need only to visualize the residue with the name DRG (ligand) present in
AC> each complex.
AC> I need a kind of foreach in vmd. Could someone help me?
AC> Thanks a lot
AC> Andrea
AC>
AC> 

-- 
=======================================================================
Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer_at_theochem.ruhr-uni-bochum.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/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.