API Topology

get_bondgraph(molecular_system[, ...])	Building a bond graph from a molecular system.
get_covalent_blocks(molecular_system[, ...])	Identifying the sets of atoms that remain covalently connected when bonds are removed.
get_covalent_paths(molecular_system[, path, ...])	Finding paths of covalently bonded atoms matching an ordered pattern.
get_rigid_fragments(molecular_system[, ...])	Deriving rigid fragments by cutting explicitly selected covalent bonds.
get_rotatable_bonds(molecular_system[, ...])	Classifying acyclic torsion candidates before filtering source bonds.
get_dihedral_quartets(molecular_system[, ...])	Finding atom quartets that define standard dihedral angles.
get_sequence_alignment(molecular_system[, ...])	Aligning sequences between a query and reference molecular system.
get_sequence_identity(molecular_system[, ...])	Calculating sequence identity between two molecular systems.
get_substructure_matches(molecular_system, ...)	Matching chemical SMARTS without truncating or changing the source atom axis.