VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jul 30 2010 - 08:41:35 CDT

On Fri, Jul 30, 2010 at 8:45 AM, Ramasamy, Ellankavi
<Ellankavi.Ramasamy_at_mpa.uni-stuttgart.de> wrote:
>
> Hello all,
>
> I would like to know how i can perform a batch conversion of PDB files to a POVRay files. Since the number of files is large, I do not want
> to use the Render form in VMD and perform the rendering in an interactive mode.
>
> Kindly tell me if there is any script in VMD that produces the POVRay file from a PDB file or any other external applications under Linux that
> do the same.

have a look at the VMD user's guide. the "render" command
is what will output the povray input file (or for other formats).

all that is left to do would be some little tcl scripting
to generate the visualizations and outputs.

since almost everything you do manually with VMD can be scripted
you can turn on the logging feature and log your manual actions to
a file and then use this as a template for whatever you want to do.

cheers,
    axel.

>
> Thanks for your time and help
>
> Ellankavi, M.Sc.
> MPA, Universität Stuttgart
> Deutschland
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.