The BODIPY subunit (4,4-difluoro-4-bora-3a,4a-diaza-s-indacene) is an important fluorophore in biological studies; being easily synthesized, stable, modifiable and reliably fluorescent. The BODIPY has, in the ideal, assumption of C2v symmetry, and numerous studies have proposed a variety of internal (distances, angles, torsions) and external (plane-to-plane angles, etc.) coordinate frames and calculations to understand variation within the fluorescent lifetimes. The use of pseudo-normal coordinates allows us to cluster structures; alongside chemical modifications, these should correlate with photophysical attributes. The total set of bodipy compounds can be accessed by scsd_collection('bodipy'). We can perform a principal component analysis (PCA) on the derived matrices which define the eigenvectors of the symmetry coordinates for the class. This gives us a handle for looking at the concerted movement of atoms; these pseudo-normal modes show obvious clusters of structures in this case, derived from the substitution pattern on the bodipy core. The addition of a 1,3,5,7-tetramethyl substituent pattern increases quantum yield; this substituent pattern also shows a distinct structural cluster in A1( ) and A1( ) (see Fig. in main paper). Cluster identification is described in ellipsoid.py.