使用WebGL实现动态分子数据的远程可视化

Finian Mwalongo, M. Krone, M. Becher, G. Reina, T. Ertl
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引用次数: 13

摘要

分子动力学模拟的动态数据可视化对于理解分子的功能是至关重要的。许多现有的可视化工具主要关注于支持在台式计算机上工作的单个用户。浏览器特性的技术进步增加了基于web的协作可视化工具的发展潜力。尽管基于网络的分子观察器已经存在,但它们对动态分子数据交互速率的支持是缺乏的。为了解决这一差距,我们提出了一个高效的web应用程序,使用WebGL来可视化动态分子数据,该应用程序利用了WebSockets和web Workers等HTML5技术。我们演示了在浏览器中以交互帧率可视化大型动态分子数据的可行性。此外,该应用程序还可用于移动设备上的远程仿真监控。我们的方法允许科学家在任意地点同时可视化地分析相同的数据。可视化的交互式参数化可以在多个客户端之间共享,为协同研究提供了基础。
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Remote visualization of dynamic molecular data using WebGL
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. We demonstrate the feasibility to visualize large dynamic molecular data in the browser at interactive frame rates. Moreover, the application can be employed for remote simulation monitoring on mobile devices. Our approach allows scientists at arbitrary locations to concurrently visually analyze the same data. The interactive parametrization of the visualization can be shared among multiple clients, providing the basis for collaborative research.
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