TileViz : Tile visualization for direct dynamics applied to astrochemical reactions.
Résumé
We present a small multiples approach to analyze an ensemble of molecular dynamics trajectories related to reactions of as-trochemical interest. A tiled visualization tool is being developed on the MANDELBROT platform housed at Maison de la Simulation in Saclay (France). Instead of one huge screen, the TileViz software allows to present every visualization tool outputs side by side. Scientists are able to analyze multiple simulations at the same time, with varied parameters, or to visually compare similar results. We have included in our tool the VMD molecular dynamics viewer, making it useful for the broad molecular dynamics community. Here, as a case study, we applied the approach to chemical dynamics trajectories performed by some of us with the aim of understanding possible synthetic pathways for the formation of complex organic molecules in space.