bbprepared.selectors.XCOMXSelector¶ class bbprepared.selectors.XCOMXSelector[source]¶ Bases: Selector Get binder atom positions with the molecule centroid in the middle. Methods get_atomic_positions select_atoms get_atomic_positions(molecule)[source]¶ Parameters: molecule (BuildingBlock) Return type: tuple[NDArray[float64], …] select_atoms(molecule)[source]¶ Parameters: molecule (BuildingBlock) Return type: tuple[int, …] yield_stepwise(molecule)¶ Parameters: molecule (BuildingBlock) Return type: Iterator[tuple[int, …]]