nglutils

Utility module for using nglview to visualize stuff.

ENABLE JUPYTER EXTENSIONS! See installation section.

Examples

See the included jupyter notebook for example usage.

Viewer commands

• Left click to rotate
• Right click to move
• click an atom or bond to center view on it
• Mouse wheel to zoom

Installation

Clone the repo, then use pip or setup.py to install.

Note: it might be necessary to run the following two shell commands to enable the NGL widget:

$jupyter-nbextension enable --py --user widgetsnbextension
$jupyter-nbextension enable --py --user nglview

This should be compatible with jupyterlab, as long as jupyterlab >= 3 and nglview >= 3 are installed.