Documents Www.ccdc.cam.ac.uk Making the most of a QM calculation Noel O’Boyle.

Slide 1 www.ccdc.cam.ac.uk Making the most of a QM calculation Noel O’Boyle Slide 2 www.ccdc.cam.ac.uk Tools GaussSum cclib Pybel Slide 3 www.ccdc.cam.ac.uk Themes Interoperability…