VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Jul 20 2011 - 13:41:23 CDT

Hi,
  You can do this from the text command window (or a script) like this:
mol new file.crd type crdbox
or
mol addfile file.crd type crdbox

I haven't fully documented the movie maker plugin's script-based
interfaces, but it is possible to automate movie generation by setting
a few movie maker variables and calling the right sequence of
movie maker procedures. I'm currently in the process of reworking some
of this to allow parallel movie rendering on clusters, but I should
have a new easy-to-use script-based interface available for it soon.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jul 19, 2011 at 03:18:44PM +0200, Guenegou, Guillaume [ORDFR] wrote:
> Dear all,
>
>
>
> I am using the last release of VMD and I am a new user.
>
>
>
> My goal is to visualize an amber trajectory with VMD. I manage to do it
> with the GUI. But I would like to do it with command lines in a script.
>
> The prmtop file loading is ok (mol new file.prmtop), but concerning the
> trajectory file (.mdcrd), I do not know how to load it properly.
>
> I use the command: mol addfile file.mdcrd
>
> The problem is that the recognized file type is "AMBER coordinates" and I
> need it to be "AMBER coordinates with periodic box".
>
> Do I have to change the file extension or is there a way to specify the
> wished file type?
>
> I did not find anything about making a movie of a trajectory using command
> lines (it is pretty easy with the GUI).
>
> Is there a script/command lines to do this?
>
> Thanks in advance,
>
> G.GUENEGOU 

-- 
NIH Resource 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