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 language | English (US) |
|---|---|
| Pages (from-to) | 1241-1242 |
| Number of pages | 2 |
| Journal | Bioinformatics |
| Volume | 34 |
| Issue number | 7 |
| DOIs | |
| State | Published - Apr 1 2018 |
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All Science Journal Classification (ASJC) codes
- Statistics and Probability
- Biochemistry
- Molecular Biology
- Computer Science Applications
- Computational Theory and Mathematics
- Computational Mathematics
Cite this
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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 journal › Article
TY - JOUR
T1 - NGLview-interactive molecular graphics for Jupyter notebooks
AU - Nguyen, Hai
AU - Case, David
AU - Rose, Alexander S.
PY - 2018/4/1
Y1 - 2018/4/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85045855391&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85045855391&partnerID=8YFLogxK
U2 - 10.1093/bioinformatics/btx789
DO - 10.1093/bioinformatics/btx789
M3 - Article
C2 - 29236954
AN - SCOPUS:85045855391
VL - 34
SP - 1241
EP - 1242
JO - Bioinformatics
JF - Bioinformatics
SN - 1367-4803
IS - 7
ER -