API

Here is the Application Programming Interface

A list of classes

• RMol
  • RMol
    • RMol.df()
    • RMol.generate_conformers()
    • RMol.gnina()
    • RMol.optimise_in_receptor()
    • RMol.remove_clashing_confs()
    • RMol.rep2D()
    • RMol.rep3D()
    • RMol.set_gnina()
    • RMol.sort_conformers()
    • RMol.to_file()
    • RMol.toxicity()
• RList
  • RList
    • RList.discard_missing()
    • RList.optimise_in_receptor()
• RGroups
  • RGroups
• functions
  • fix_receptor()
  • build_molecules()