NGL viewer: web-based molecular graphics for large complexes
NGL viewer: web-based molecular graphics for large complexes
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DOI：
10.1093/bioinformatics/bty419
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发表时间：
2018-11-01
期刊：
影响因子：
5.8
通讯作者：
Rose, Peter W.
中科院分区：
文献类型：
--
作者：
Rose, Alexander S.;Bradley, Anthony R.;Rose, Peter W.
动机：非常大的大分子复合物在网络上的交互式可视化正在成为一个具有挑战性的问题，实验技术的进步，以前所未有的速度和提供结构的不断增加的size.Results：我们已经解决了这个问题，通过开发高内存效率和可扩展的NGL WebGL为基础的分子查看器，并通过使用大分子传输格式（MMTF），二进制和压缩的MMTF。这些使NGL能够在台式计算机和智能手机上以交互方式下载和渲染具有数百万原子的分子复合物，使其成为研究和教育中基于网络的分子可视化的首选工具。
Motivation: The interactive visualization of very large macromolecular complexes on the web is becoming a challenging problem as experimental techniques advance at an unprecedented rate and deliver structures of increasing size.Results: We have tackled this problem by developing highly memory-efficient and scalable extensions for the NGL WebGL-based molecular viewer and by using Macromolecular Transmission Format (MMTF), a binary and compressed MMTF. These enable NGL to download and render molecular complexes with millions of atoms interactively on desktop computers and smartphones alike, making it a tool of choice for web-based molecular visualization in research and education.