VMD-L Mailing List

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Thu Mar 11 2004 - 10:24:31 CST

I have had great success running vmd as an analysis shell script

The shell command 'wait' would be useful in your case.

ie

!#/bin/csh
{

  shell command

}
wait

vmd -dispdev text -e anal.script >& anal.log

wait

{

shell commands

}

wait

echo "All done!"

On Thu, 11 Mar 2004, Vlad Cojocaru wrote:

> Dear VMD community,
> Is there a way to use VMD only as a command line interface??? What I
> am trying to do is to set a shell script for some analysis. In this
> shell script I need VMD first to do some splitting (via its Tcl
> interface) and then I use some other commands to process the files
> created by VMD.
> By default the shell takes subsequent commands without waiting for VMD
> to finish its job.
> So I would like to avoid this behaviour and subsequent commands to be
> taken only after vmd has finished its job and also I would like to get
> rid of the graphical interface. In other words I would like to use vmd
> as a normal shell command.
> Is there a way to instruct VMD to behave like this?
> Thank you very much
> vlad
>
> --
> Vlad Cojocaru
> Max Planck Institute for Biophysical Chemistry
> Department: 060
> Am Fassberg 11, 37077 Goettingen, Germany
> tel: ++49-551-201.1327
> e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
> home tel: ++49-551-9963204
>
>
>

*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
*****************************************************************