I am attempting to create a descriptor to measure the orientation of a molecule. I have PDB files of the same molecule, posed in different ways, and need to describe the different orientations. I thought dipole vectors would be perfect, but it seems the molecule is always rotated away from its original pose, to minimize the z-component. Is there a way to do this with the geometry plugin (or other)? What is important is being able to compare different orientations of the same molecule with a numeric metric. Thank you!