plotlyMol

A package to create molecular representations using the base Python Plotly.

consider the ability to be able to pass multiple inputs of the same time... [smiles, smiles, etc] <- need to handle single inputs and lists of inputs

For the future:

• 2D: give chemdraw like structures
• 3D:
  • draw 3D structures
    • add in the ability to scale the position of the half-bond by the van der waals radii of the atoms at either end.
  • add orbitals and other surfaces
  • for smiles: need to be able to handle add structures
  • PROBLEM: the rdkit xyzblock --> mol object can fail, for things like NITRO. Need to find a new way to handle xyz (maybe bable xyz --> smiles???)
  • Need to add in the ability to draw orbitals. Code works, just needs to be implemented.
• 4D: Animations
• GUI
  • ability to toggle aspects of the presentation/hover/etc
  • ability to dynamically enter mol information