Geometry

webinar · 10 years ago

Geometry


The Geometry plugin provides characteristic values related to the geometrical structure of a molecule. As input molecule it can use the user input or take the lowest energy conformer of the input molecule. Calculations available:

  • Dreiding energy: energy related to the stability of the actual 3D structure (conformation) of the molecule.
  • Hindrance: steric hindrance of an atom calculated from the covalent radii values and geometrical distances.