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Project description
ipymolstar
Live Demo
Give ipymolstar
a spin without even installing python!
- Try it in jupyter lab via JupyterLite 🌍🚀
- Explore the solara ☀️ demo application on Ploomber-cloud ⛅
- Grap a cup and play with the solara app demo code in PyCafe ☕
Installation
pip install ipymolstar
Use
from ipymolstar import PDBeMolstar
view = PDBeMolstar(molecule_id='1qyn', theme='light', hide_water=True)
view
Loading local data, hiding the buttons:
from pathlib import Path
fpth = Path().resolve() / 'assets' / '6vsb.bcif'
custom_data = {
'data': fpth.read_bytes(),
'format': 'cif',
'binary': True,
}
view = PDBeMolstar(
custom_data=custom_data,
hide_controls_icon=True,
hide_expand_icon=True,
hide_settings_icon=True,
hide_selection_icon=True,
hide_animation_icon=True,
hide_water=True,
hide_carbs=True,
)
view
See the example notebook for more advanced usage. Solara example code can be found here
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
Project details
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Source Distribution
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