[IMP-dev] slow molecule building

Hi there

#read in protein model = IMP. Model() mhd = IMP.atom.read_pdb(pdb_name, model, IMP.atom.NonWaterNonHydrogenPDBSelector()) ff = IMP.atom.get_heavy_atom_CHARMM_parameters() top = ff.create_topology(mhd) top.add_atom_types(mhd) bonds = top.add_bonds(mhd) angles = ff.create_angles(bonds) dihedrals = ff.create_dihedrals(bonds)

Why is this last line so much slower than the others? It's sad, because it takes up most of the time in the construction of a protein hierarchy.

thanks!

Yannick