Add NGL Molecule Viewer

awesome-panel / panel-chemistry

🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.

MIT License

118 stars 16 forks source link

Add NGL Molecule Viewer #15

Closed MarcSkovMadsen closed 1 year ago

MarcSkovMadsen commented 3 years ago

PyHDX has an existing NGL Molecule Viewer which is ok to copy or get inspiration from.

https://github.com/Jhsmit/PyHDX/blob/master/dev/bokeh_extension.py

https://twitter.com/Jhsmit_/status/1398233190519693317

MarcSkovMadsen commented 3 years ago

I also have a one way communicating ngl viewer here https://github.com/MarcSkovMadsen/awesome-panel-extensions/blob/master/awesome_panel_extensions/widgets/ngl_viewer.py

Jhsmit commented 3 years ago

The code you reference is a standalone working example but the code in this folder is more our testing/playground folder. The current implementation in PyHDX is found here: typescript: https://github.com/Jhsmit/PyHDX/blob/master/pyhdx/panel/ngl_viewer.ts widget: https://github.com/Jhsmit/PyHDX/blob/12fc2b5f67200885706226823bd8e1f46e3b5db1/pyhdx/panel/widgets.py#L130

The two-way NGL viewer as bokeh extension was done by @sebaztiano

MarcSkovMadsen commented 3 years ago

With inspiration from the PR provided by @Jhsmit I started working on this here https://github.com/MarcSkovMadsen/panel-chemistry/tree/ngl_viewer