ipymolstar 0.0.3

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ipymolstar

Try it in jupyter lab on JupyterLite

Installation

pip install ipymolstar

Use

from ipymolstar import PDBeMolstar
view = PDBeMolstar(molecule_id='1qyn', theme='light', hide_water=True)
view

See the example notebook for more advanced usage.

Cite

ipymolstar uses anywidget to create a widget based on the PDBe integration of Mol*.

When using ipymolstar, please cite:

David Sehnal, Sebastian Bittrich, Mandar Deshpande, Radka Svobodová, Karel Berka, Václav Bazgier, Sameer Velankar, Stephen K Burley, Jaroslav Koča, Alexander S Rose: Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures, Nucleic Acids Research, 2021; 10.1093/nar/gkab31.

See also the RCSB citation policies for additional citation information.

Development

Creating a new release

• update __version__ in __init__.py
• create a new release on GitHub, choose as tag 'v' + __version__; ie 'v0.0.3'
• GitHub actions should automatically deploy to PyPi

Hot reloading

To enable anywidget hot reloading, you need to set th env var ANYWIDGET_HMR to 1.

Windows:

set ANYWIDGET_HMR=1
jupyter lab