jupy3dmol v0.1.0

jupy3dmol-ts

Jupyter widget to use 3Dmol.js interactively.

Installation (Development)

A typical installation requires the following commands to be run:

pip install --user -e .
jupyter nbextension install --py [ --sys-prefix | --user | --system ] jupy3dmol
jupyter nbextension enable --py [ --sys-prefix | --user | --system ] jupy3dmol

or, if you use JupyterLab:

pip install --user -e .
jupyter labextension install .

Testing

# in the root directory
pip install --user -e .[test]
py.test  # need pytest, pytest-cov, nbval
npm test  # need Firefox

Documentation (generated by Sphinx)

• GitHub Pages

Acknowledgement

This project would not be possible without the following great open-source projects.

• 3dmol/3Dmol.js
• jupyter-widgets/ipywidgets

ToDo

• Set container's size
• Fetch array
• Frame
• Render from JSON
• Render from BondedAtoms
• Implement __getattr__
• Need to host Jupyter server for example notebooks?
  • hint?: https://minrk-ipywidgets.readthedocs.io/en/latest/embedding.html#rendering-interactive-widgets-on-nbviewer