NGLview–interactive molecular graphics for Jupyter notebooks
Abstract Summary 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 …
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 …
Summary
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.