class jade.antibody.CDRClusterer.CDRClusterer(bio_pose)[source]

A simple class for calculating a CDRs cluster from dihedrals or a renumbered pose.

get_fullcluster(cdr_name, chain=None, region=None)[source]

IF DIHEDRALS is SET - AKA from before using the same class - WILL USE THE SAME DIHEDRALS AS BEFORE Rewritten from C++ code. Identifies the cluster of a known cdr type given either custom dihedrals or dihedrals calculated from a pose. Returns a pair or [cdr_cluster, distance] region is [int start, int end, chain] - This way you can cluster without renumbering if you want.

Return type:list[str, float]
get_length(cdr_name)[source]
set_custom_dihedrals(dihedrals)[source]

Dihedrals is a dict: [‘phi’]=[x, y, z]; [‘psi’] = [x, y, z]; [‘omega’] = [x, y, z (degrees)]

set_dihedrals_from_bio_pose(start, end, chain)[source]

Set dihedrals from a BioPose :param start: int :param end: int :param chain: str

set_dihedrals_from_cdr(cdr_name, chain)[source]