A Multimodal VR Framework for Interactive Molecular Simulations

Alex Tek (1) , Benoist Laurent (2) , Nicolas Férey (3, 4) , Marc Baaden (5)

1 LBT (UPR_9080) - Laboratoire de biochimie théorique [Paris]
2 IBPC (FR_550) - Institut de biologie physico-chimique
3 LISN - Laboratoire Interdisciplinaire des Sciences du Numérique
4 VENISE - Virtual & augmented ENvIronments for Simulation & Experiments - LISN
5 LBT (UPR_9080) - Laboratoire de biochimie théorique [Paris]

Molecular simulation is nowadays becoming a routine technique in structural biology. Recent progress along with increasingly widespread access to substantial computing power now enables the study of macromolecular systems in interactive time. Visual inspection of MD trajectories is a good way to quickly discover general trends and perform initial analysis. Interactive Molecular Simulation (IMS) provides visualisation of and interaction with a simulation in progress, as well as possible on-the-fly control over simulation settings. Yet, few simulation and visualisation programs implement these features or often lack functionalities such as dynamic “live” analysis tools or efficient rendering.

Domaines: Chimie théorique et/ou physique

Alex Tek, Benoist Laurent, Nicolas Férey, Marc Baaden. A Multimodal VR Framework for Interactive Molecular Simulations. EuroVR-EVE 2010, Nov 2010, Orsay, France. ⟨hal-03977463⟩