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

densities/blob