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NGL viewer: web-based molecular graphics for large complexes

2018; Oxford University Press; Volume: 34; Issue: 21 Linguagem: Inglês

10.1093/bioinformatics/bty419

1367-4811

Alexander Rose, A.R. Bradley, Yana Valasatava, José M. Duarte, Andreas Prlić, Peter W. Rose,

Web Data Mining and Analysis

Abstract 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. Availability and implementation The source code is freely available under the MIT license at github.com/arose/ngl and distributed on NPM (npmjs.com/package/ngl). MMTF-JavaScript encoders and decoders are available at github.com/rcsb/mmtf-javascript.