VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Sat May 14 2005 - 02:04:23 CDT

On Fri, 13 May 2005, Prasad S Garimella wrote:

PG> Hi everybody,

hi!

>

PG> I want to open multiple pdb files with different number of atoms each
PG> time. I have tried using animatepdbs.tcl (below) but it only loads
PG> pdbs files with same number of atoms. Is there any alternative for
PG> this problem?

sure there is. you have to load the pdbs into separate molecules
and then cycle through displaying those molecules. see:

http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part7.html#chap9_sect5

regards,
        axel.

PG> Animatepdbs.tcl:
PG> proc animatepdbs {start end fileformat} {
PG> set filename [format $fileformat [expr $start]]
PG> incr start
PG> puts "Reading initial frame in PDB sequence $filename"
PG> mol load pdb $filename
PG>
PG> puts "Reading PDB files as an animation..."
PG> for {set i $start} {$i <= $end} {incr i 1} {
PG> set filename [format $fileformat [expr $i]]
PG> animate read pdb $filename
PG> }
PG> }
PG>
PG> thanks
PG>
PG> Prasad Garimella
PG>
PG>
PG> 

-- 
=======================================================================
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.