VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Dec 10 2012 - 11:45:42 CST

Aaron,
  Rather than using "vmd -dispdev text -e foo.tcl" in your PBS script, try
doing something like this instead, and let me know if it cures
the display resize issue you're having:
  vmd -dispdev text < foo.tcl > output.log

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Dec 10, 2012 at 09:34:38AM +0100, Aaron Taudt wrote:
> Thanks for your answers. The given example script works, except for one
> thing: If i use the "display resize" command, VMD exits without any
> error messages. Without the "display resize", everything works as
> expected. VMD and the script are called via a PBS submission script
>
> Aaron
>
>
> Am 06.12.2012 17:00, schrieb John Stone:
> >Hi,
> > Actually, the existing movie maker does have a simple script-driven
> >interface that one can use independent of whether VMD is running with
> >a full GUI or not. To make some types of movies you would need to
> >set some other movie maker internal variables as well. This interface
> >is subjec to change in the next version of VMD since I'm working on
> >adding parallel movie rendering to VMD currently, but the examples below
> >will work for any existing version of VMD containing vmdmovie
> >package version 1.7 or later.
> >
> >Here is a simple example:
> >
> >package require vmdmovie
> >display resize 256 256
> >mol new 1ubq waitfor all
> >mkdir /tmp/mytmpdir
> >
> ># check if we are running with a GUI or not
> ># if we are running without Tk, then we also don't have OpenGL, and we
> ># will have to render the movie using Tachyon or by some other method
> >if { [ info exists tk_version] } {
> > ::MovieMaker::makemovie /tmp/mytmpdir example ppmtompeg snapshot 10
> > rockandroll
> >} else {
> > ::MovieMaker::makemovie /tmp/mytmpdir example ppmtompeg libtachyon 10
> > rockandroll
> >}
> >
> >
> >Here are examples of other variables you may need to set/override:
> >set ::MovieMaker::framerate 24
> >set ::MovieMaker::trjstep 1
> >set ::MovieMaker::userframe 0
> >set ::MovieMaker::numframes [molinfo top get numframes]
> >
> >
> >As mentioned above I am working on extending the movie maker for
> >parallel rendering via scripts when running in text mode on clusters
> >with MPI, and some of this will likely involve changes to the script-level
> >movie maker interface, so the suggestions I give above might
> >potentially need to be updated with the next major VMD release. If I can
> >implement the new version without breaking old scripts, I will, but I don't
> >know if that's feasible yet.
> >
> >Cheers,
> > John Stone
> > vmd_at_ks.uiuc.edu
> >
> >On Thu, Dec 06, 2012 at 02:02:33PM +0100, Axel Kohlmeyer wrote:
> >>On Wed, Dec 5, 2012 at 3:40 PM, Aaron Taudt
> >><aaron.taudt_at_itb.uni-stuttgart.de> wrote:
> >>>Dear VMD users,
> >>>
> >>>i want to use the VMD Movie Maker Plugin in "-dispdev text" mode. This
> >>>means
> >>>I cannot press any buttons. Is there a way to use the Movie Maker Plugin
> >>>from within a script? I didn't find anything related to this question on
> >>>the
> >>the movie maker plugin uses Tk scripting, but with -dispdev text,
> >>Tk and the entire graphics environment is not initialized, so the
> >>answer is "no" you cannot use it.
> >>
> >>however, it is fairly simple to write a little loop/script
> >>of your own in Tcl that will execute the necessary steps.
> >>most of which, you can copy from the movie maker script,
> >>if needed.
> >>
> >>axel.
> >>
> >>>web. Thanks in advance.
> >>>
> >>>Best regards
> >>>Aaron Taudt
> >>>Institute of Technical Biochemistry
> >>>University of Stuttgart
> >>
> >>
> >>--
> >>Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> >>International Centre for Theoretical Physics, Trieste. Italy. 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/       Fax: 217-244-6078