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OpenChemistry / avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
https://two.avogadro.cc/
BSD 3-Clause "New" or "Revised" License
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Non-VTK volumetric orbital / density rendering #1150

Open ghutchis opened 2 years ago

ghutchis commented 2 years ago

It would be great to have non-mesh volumetric rendering for electron density, orbitals, etc.

Right now, 3Dmol.js has this https://3dmol.csb.pitt.edu/

The VTK view also has this - but it requires VTK support, which is brittle.

volumedensity

Caffeine Density
ghutchis commented 1 week ago

The code for the 3Dmol shader is here: https://github.com/3dmol/3Dmol.js/tree/master/src/WebGL/shaders/lib/volumetric

The idea would be instead of generating an isosurface mesh from a Cube object to instead display the volumetric "fog"