4 ms·

Neat modeler, not so much a simulator.

• wwalker3 18y ago
  I guess it's a simulator in that the bond angles and lengths dynamically rearrange as you add new atoms or yank on existing ones. I'm not sure the results are accurate (compared with density functional theory, Hartree-Fock, etc.), but it looks pretty cool. I assume it's doing some sort of force-based algorithm with an integrator.
  • pfedor 18y ago
    I think the OP was making reference to the fact that you can connect atoms without regard for valence.
    • eru 18y ago
      And you can't double connect.
      • critic 18y ago
        Click on the bond button before adding an atom. It cycles from 1 to 3.
        • eru 18y ago
          Thanks!
  • critic 18y ago
    The results are rather wrong, i.e offensive to the eye (try creating aromatic compounds), but as a GUI prototype, it's pretty neat.