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blob: plot densities directly in your browser
This is a mashup of great libraries and examples
- https://threejs.org for 3D rendering
- threex: Game Extensions for three.js
- Marching cubes algorithm based on https://stemkoski.github.io/Three.js/
- https://vuejs.org for the user interface
- Vue Color
- Bootstrap for CSS
How to try it out
- Download an example cube file (or create your own).
- Visit https://densities.github.io/blob/ and try it out.
Status of this project
- At this point only proof-of-concept.
- Function interfaces are not stable and will change.
- Right now only understands Gaussian cube file format but later we can add support for other formats.
Roadmap
- Show the molecular structure instead of only centers.
- Speed up the meshing.
- Integration with Jupyter notebooks.
How you can contribute
Please suggest ideas and contribute patches.
For non-trivial changes please first open an issue and describe what you have in mind and collect feedback and program once you got a bit of feedback - this helps to sharpen the goal and to avoid surprises.
How to cite this project
[We will add this information soon, until then please refer to this URL.]
Implementation notes
For the CUBE file format we follow this specification.
The starting isovalue is the mean of absolute values (better definition is welcome).
Credits
- Brian Skinn: feedback and help when testing +/- isovalues