API Topology#

get_bondgraph(molecular_system[, ...])

Building a bond graph from a molecular system.

get_covalent_blocks(molecular_system[, ...])

Identifying covalent blocks (connected components) in a molecular system.

get_covalent_chains(molecular_system[, ...])

Building covalent chains given ordered selections for each position.

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.