Visualization of dynamic data from molecular dynamics simulations is crucial for understanding the functioning of molecules. Many existing visualization tools have mainly focused on supporting a single user working on a desktop computer. Technical advancements in browser features increase the potential for the development of web-based collaborative visualization tools. Although web-based molecular viewers already exist, their support for dynamic molecular data at interactive rates is lacking. To address this gap, we present an efficient web application for visualization of dynamic molecular data using WebGL that exploits HTML5 technologies like WebSockets and Web Workers. GPU-based ray casting techniques offer fast rendering times and produce images with higher visual quality. Efficient data encoding techniques are used to minimize the data transferred to the client; therefore saving bandwidth and improving the transfer times. We demonstrate the feasibility of visualizing large dynamic molecular data with more than one million atoms in the browser at interactive frame rates. Our approach allows scientists at arbitrary locations to concurrently visually analyze the same data. The interactive parameterization of the visualization can be shared among multiple clients, providing the basis for collaborative research. Moreover, the application can be employed for remote simulation monitoring on mobile devices.
['Finian Mwalongo', 'Michael Krone', 'Michael Becher', 'Guido Reina', 'Thomas Ertl']
GPU-based remote visualization of dynamic molecular data on the web