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3dmol / 3Dmol.js

WebGL accelerated JavaScript molecular graphics library
https://3dmol.org/
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Molecular System Editor #508

Open jaxmatrix opened 3 years ago

jaxmatrix commented 3 years ago

3dmol already has most of the feature for making a molecular editor, I was thinking if we could extends its functionality and use it to develop molecular systems. For instance:

  1. Nanopore Nanopore

  2. Bilayer lipid membrane on a solid state material Bilayer Membrane

To implement this feature I was thinking we could use following scheme:

  1. Draw a bounding geometry similar to any CAD software For example : Fusion 360
  2. Fill the bounding box with particles a. Define the filling method (spacing between molecules and direction for filling) for the molecule b. Define a bounding condition c. Fill the volume with molecules where bounding condition is satisfied
dkoes commented 3 years ago

This sounds like an application that can be built upon 3Dmol.js, but is beyond the scope of the library itself, although I'd certainly be willing to accept pull requests for editor modules.