NGLview-interactive molecular graphics for Jupyter notebooks

Hai Nguyen, David Case, Alexander S. Rose

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

NGLview is a Jupyter/IPython widget to interactively view molecular structures as well as trajectories from molecular dynamics simulations. Fast and scalable molecular graphics are provided through the NGL Viewer. The widget supports showing data from the file-system, online data bases and from objects of many popular analysis libraries including mdanalysis, mdtraj, pytraj, rdkit and more. Availability and implementation The source code is freely available under the MIT license at https://github.com/arose/nglview. Python packages are available from PyPI and bioconda. NGLview uses Python on the server-side and JavaScript on the client. The integration with Jupyter is done through the ipywidgets package. The NGL Viewer is embedded client-side to provide WebGL accelerated molecular graphics.

Original languageEnglish (US)
Pages (from-to)1241-1242
Number of pages2
JournalBioinformatics
Volume34
Issue number7
DOIs
StatePublished - Apr 1 2018

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Molecular graphics
Boidae
Python
JavaScript
Online systems
File System
Information Storage and Retrieval
Molecular Dynamics Simulation
Licensure
Molecular Structure
Information Systems
Molecular structure
Libraries
Molecular dynamics
Servers
Server
Availability
Trajectories
Databases
Trajectory

All Science Journal Classification (ASJC) codes

  • Statistics and Probability
  • Biochemistry
  • Molecular Biology
  • Computer Science Applications
  • Computational Theory and Mathematics
  • Computational Mathematics

Cite this

Nguyen, Hai ; Case, David ; Rose, Alexander S. / NGLview-interactive molecular graphics for Jupyter notebooks. In: Bioinformatics. 2018 ; Vol. 34, No. 7. pp. 1241-1242.
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NGLview-interactive molecular graphics for Jupyter notebooks. / Nguyen, Hai; Case, David; Rose, Alexander S.

In: Bioinformatics, Vol. 34, No. 7, 01.04.2018, p. 1241-1242.

Research output: Contribution to journalArticle

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