Metadata-Version: 2.1
Name: ipymolstar
Version: 0.0.3
Requires-Dist: anywidget
Provides-Extra: dev
Requires-Dist: jupyterlab; extra == 'dev'
Requires-Dist: watchfiles; extra == 'dev'
Description-Content-Type: text/markdown

# ipymolstar

![image](https://github.com/Jhsmit/ipymolstar/assets/7881506/589a94d5-2647-4977-90aa-c886c10cacb9)

Try it in jupyter lab on [JupyterLite](https://github.com/Jhsmit/ipymolstar-demo)

## Installation


```sh
pip install ipymolstar
```


## Use

```python
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](https://github.com/molstar/pdbe-molstar) of [Mol*](https://molstar.org/).

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](https://doi.org/10.1093/nar/gkab314).

See also the [RCSB citation policies](https://www.rcsb.org/pages/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:
```bash
set ANYWIDGET_HMR=1
jupyter lab
```
