haddock.modules.analysis.ilrmsdmatrix.ilrmsd module

ilRMSD calculations.

class haddock.modules.analysis.ilrmsdmatrix.ilrmsd.Contact(model_list: list[PDBFile], output_name: str, core: int, path: Path, contact_distance_cutoff: float = 5.0, **params: dict[str, Any])

Bases: object

Contact class.

output()

Write down unique contacts to file.

run()

Run contact calculations.

class haddock.modules.analysis.ilrmsdmatrix.ilrmsd.ContactJob(output, params, contact_obj)

Bases: object

A Job dedicated to the fast retrieval of receptor contacts.

run()

Run this ContactJob.