Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Molecular System Editor #508

Open
jaxmatrix opened this issue Mar 28, 2021 · 1 comment
Open

Molecular System Editor #508

jaxmatrix opened this issue Mar 28, 2021 · 1 comment

Comments

@jaxmatrix
Copy link
Contributor

jaxmatrix commented Mar 28, 2021

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
Copy link
Contributor

dkoes commented Mar 28, 2021

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.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

2 participants