A Molecular Modeling System Based on Dynamic Gestures

Abstract

We propose a molecular modeling system which visualizes three dimensional models of molecules, presents them using a large stereoscopic display and allows scientists observe and manipulate the molecular models using their gestures using hands and arms. The system consists of a three dimensional stereoscopic display, data gloves, and motion tracking devices. Scientists can examine, magnify, translate, rotate, combine and split the molecular models in natural and convenient ways using gestures. The proposed system is based on “Dynamic Gestures”. It means that the system utilizes direct manipulation and reflects real-time behaviors of users with two hands. The system also allows us to observe and manipulate not only the whole structure of molecular models but also specific regions of molecular models in detail. With the proposed system, we can rotate two chemically bonded molecular models in opposite directions simultaneously using two hands. On the other hand, typical input devices such as a mouse cannot allow us to perform and manipulate such operations simultaneously and effectively. In order to simulate bonded molecular models precisely and in real-time using the dynamic gestured-based system, we implement an energy minimization algorithm and suggest a new data structure for showing the three dimension molecular models.