Contents:
Python RMSD tool with symmetry correction.
cycle()
graph_from_adjacency_matrix()
lattice()
match_graphs()
num_edges()
num_vertices()
vertex_property()
adjacency_matrix()
bonds()
load()
loadall()
numatoms()
numbonds()
to_molecule()
BibTeX()
Doi()
InactiveDueCreditCollector
InactiveDueCreditCollector.activate()
InactiveDueCreditCollector.active
InactiveDueCreditCollector.add()
InactiveDueCreditCollector.cite()
InactiveDueCreditCollector.dcite()
InactiveDueCreditCollector.dump()
InactiveDueCreditCollector.load()
Text()
Url()
NonIsomorphicGraphs
adjacency_matrix_from_atomic_coordinates()
cost_mtx()
hungarian_rmsd()
optimal_assignment()
Molecule
Molecule.center_of_geometry()
Molecule.center_of_mass()
Molecule.from_obabel()
Molecule.from_rdkit()
Molecule.rotate()
Molecule.strip()
Molecule.to_graph()
Molecule.translate()
coords_from_molecule()
K_mtx()
M_mtx()
coefficients()
lambda_max()
qcp_rmsd()
hrmsd()
rmsd()
rmsdwrapper()
symmrmsd()
center()
center_of_geometry()
deg_to_rad()
format()
molformat()
rotate()