Cited by 489Enzyme Structure and FunctionComputer Graphics and Visualization TechniquesProtein Structure and Dynamics

NGL viewer: web-based molecular graphics for large complexes

Open access
Rose, Alexander S, Bradley, Anthony R, Valasatava, Yana, Duarte, Jose M, Prlić, Andreas, Rose, Peter W·2018·Bioinformatics

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.

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Crossref · 10.1093/bioinformatics/bty419

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  • The 3D visualization employs NGL Viewer and is highly interactive, allowing users to drag, zoom, pan and spin the structure to thoroughly examine it.

    “This 3D visualization, employing NGL Viewer (34,35), is highly interactive, allowing users to drag, zoom, pan and spin the structure to thoroughly examine it.”

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Research works printed but not linked: 2

  1. Khan F. et al. (2014) Using JavaScript and WebCL for numerical computations: a comparative study of native and web technologies. In Proceeding DLS’14 Proceedings of the 10th ACM Symposium on Dynamic languages, Portland, Oregon, USA, pp. 91–102.
  2. Rose P.W. et al. (2017) The RCSB protein data bank: integrative view of protein, gene and 3D structural information. Nucleic Acids Res., 45, D271–D281. [DOI] [PMC free article] [PubMed] [Google Scholar]

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Authors
Rose, A. S., Bradley, A. R., Valasatava, Y., Duarte, J. M., Prlić, A., & Rose, P. W.
Affiliations
  • San Diego Supercomputer Center (US)
  • RCSB Protein Data Bank
Corresponding author
Rose, Alexander S
Venue
Bioinformatics
Published
2018-05-29
Volume
34
Issue
21
Pages
3755-3758
ISSN
  • 1367-4803 (ISSN-L)
  • 1367-4811
OpenAlex
W2806399642
Cited by
489
References
19
Citations by year
2026: 21 · 2025: 33 · 2024: 45 · 2023: 45 · 2022: 50 · 2021: 79 · 2020: 108 · 2019: 96 · 2018: 11 · 2016: 1
FWCI
27.53
Type
journal article
Language
en
Open access
Locations
  • Bioinformatics (publishedVersion)
  • Europe PMC (PubMed Central) (publishedVersion)
  • PubMed Central (publishedVersion)
  • PubMed (publishedVersion)
  • eScholarship (California Digital Library) (submittedVersion, cc-by)
Funders
  • NIH (U01 CA198942)
  • RCSB
  • PDB
  • NSF (DBI-1338415)
Topics
  • Physical Sciences › Materials Science › Materials Chemistry › Enzyme Structure and Function
  • Physical Sciences › Computer Science › Computer Graphics and Computer-Aided Design › Computer Graphics and Visualization Techniques
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
Keywords
molecular visualization, macromolecular complexes, WebGL, memory-efficient rendering, web-based visualization, interactive rendering, mobile devices
MeSH terms
Computer Graphics, Software, Internet, Macromolecular Substances

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