[gmx-developers] real-time GROMACS visualization
feenstra at few.vu.nl
Thu Jun 16 09:51:55 CEST 2005
Marc Baaden wrote:
> In the best case scenario an interactive exploration would already show a
> rough feature that could then be confirmed and analysed in detail in a
> full MD simulation. This will depend on how subtle/robust the feature is
> against approximations and simplifications which are obviously needed for
> the interactive approach.
> Do I have a point ?
Well, in any case I can confirm you are not the only one.
I know that at the Technical U of Delft, they have a spiffy
'3D-workbench' (back-projected 3D crystal-eyes, large enough for 3-4
people to stand at) setup, which they linked to 'interactive'
simulations with Gromacs. I'm not sure at what level they interfaced,
but it must be library-based. I've seen it work, it looks magnificent
and, indeed, there is a high level of intuitive feel to it. It comes
with a '3D-pointer' that you can use to drag atoms, molecules, etc.
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