VMD-L Mailing List

From: Oliver Beckstein (oliver_at_biop.ox.ac.uk)
Date: Thu Feb 05 2004 - 12:35:41 CST

Hello,

I am displaying densities which are written as gOpenMol plt format
http://www.csc.fi/gopenmol/developers/plt_format.phtml; I
reckon it's essentially the same for (other) spatial distribution
functions...

I attached bits of code that I use to write the files. I am using Gromacs
and have written some code to generate densities from molecular dynamics
trajectories. In principle the code would be available, I just haven't
found the time to make it available through the contributions page of
www.gromacs.org. However, the plt output is simple and from plt.{h,c} you
should get an idea what to do. Use it as a guideline; in the form that the
files are now they won't compile because they need other stuff, too. I
should also acknowledge Christoph Freudenberger, who helped me with the
plt output and suggested using it on gmx-users.

Oliver

On Thu, 5 Feb 2004, CHAUMONT Alain wrote:

> Hi All,
> Wanted to know is someone of you had experience in displaying Spatial
> Distribution Functions with VMD?
>
> Is it possible to visualize the with them with the Isosurface representation?
> And if yes what format must the input be?
>
> Thanks for your support,
>
> Alain
>
>
>
> CHAUMONT Alain
> chaumont_at_chimie.u-strasbg.fr
>
> 

-- 
Oliver Beckstein * oliver_at_biop.ox.ac.uk
 http://sansom.biop.ox.ac.uk/oliver/