Jupyter widget for Vipster
How to use
Open a python-based notebook and try the following code
import vipster as vp # load regular vipster bindings from vipsterview import vpWidget # widget for visualization mol = vp.Molecule(*args) # create a Molecule instance view = vpWidget(mol=mol) # create a Widget instance displaying `mol` view # trigger display
Python library (necessary)
This is not published on PyPI, so please install from git:
# direct install: pip install git+https://github.com/sgsaenger/vipsterview # from local repo: git clone https://github.com/sgsaenger/vipsterview cd vipsterview pip install .
Jupyter Notebook extension
To use the widgets in
jupyter notebook (that is, the classical notebook interface),
install the python library and then activate the nbextension:
jupyter nbextension enable vipsterview --py
jupyter lab interface, a separate extension needs to be installed:
jupyter labextension install vipster-js-widget
It may be necessary to execute this with
sudo, depending on how you installed JupyterLab.
Make sure you trust this extension!
It may also be useful to clean yarn caches after building.