[gmx-developers] New program to visualize trajectories

Kaihsu Tai kaihsu at biop.ox.ac.uk
Fri Oct 31 08:19:10 CET 2003


Hi Andres -- With the help of David van der Spoel and Erik
Lindahl, I just learnt how to parse some Gromacs file
formats recently, and wrote some Python scripts and
wrappers.  You can find them (and related information) at
the archive for this mailing list, for example,
http://www.gromacs.org/pipermail/gmx-developers/2003-October/000648.html
http://www.gromacs.org/pipermail/gmx-developers/2003-October/000677.html

Andres Colubri, 2003-10-30 16:08:35-0600:
> The only problem is that yapview doesn't support the Gromacs trajectory
> format (yet!). But it was created using a plugin architecture, this
> means that support for new formats can be added with relative ease,
> without having to modify the yapview source code itself.
> 
> Because I've no experience whatsoever with gromacs, I'd be very grateful
> if you can provide some advice to start learning the details of the
> trajectory format (where in the gromacs source code the data structures
> are defined, for example). And if anybody is interested in helping me to
> create a gromacs plugin for yapview, that would be great!



More information about the gromacs.org_gmx-developers mailing list