narupatools.frame.util

Utility methods.

Functions

calculate_residue_entities

Calculate entities based on bonds between residues.

narupatools.frame.util.calculate_residue_entities(*, residue_count: int, particle_residues: numpy.ndarray, bond_pairs: numpy.ndarray) → numpy.ndarray

Calculate entities based on bonds between residues.

An entity is a set of one or more residues which are connected by bonds.