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    0.1.5 • Public • Published

    Jupyter widget for Vipster

    A Jupyter widget to interactively visualize molecular structures loaded by Vipster. Currently supports the python bindings via IPython.

    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+
    # from local repo:
    git clone
    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

    JupyterLab extension

    For the jupyter lab interface, a separate extension needs to be installed:

    jupyter labextension install vipster-js-widget

    Note: It may be necessary to execute this with sudo, depending on how you installed JupyterLab. Be careful! Make sure you trust this extension!

    Note It may also be useful to clean yarn caches after building. Check e.g. ~/.cache/yarn and /usr/local/share/.cache/yarn.


    npm i vipster-js-widget

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    1.33 MB

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