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NGLview-interactive molecular graphics for Jupyter notebooks
Journal article   Open access  Peer reviewed

NGLview-interactive molecular graphics for Jupyter notebooks

Hai Nguyen, David A Case and Alexander S Rose
BIOINFORMATICS, Vol.34(7), pp.1241-1242
04/01/2018
PMCID: PMC6031024
PMID: 29236954

Abstract

Biochemical Research Methods Biochemistry & Molecular Biology Biotechnology & Applied Microbiology Computer Science Computer Science, Interdisciplinary Applications Life Sciences & Biomedicine Mathematical & Computational Biology Mathematics Physical Sciences Science & Technology Statistics & Probability Technology
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.
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https://doi.org/10.1093/bioinformatics/btx789View
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