NGLview-interactive molecular graphics for Jupyter notebooks.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 29236954.
- Also identified by DOI 10.1093/bioinformatics/btx789 and PMC identifier 6031024.
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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. 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. asr.moin@gmail.com.
Medical subject headings
- Computational Biology
- Molecular Dynamics Simulation
- Software