bbprepared.MinimiseAngle¶ class bbprepared.MinimiseAngle(ensemble, selector)[source]¶ Bases: Process Get the molecule with the min/max of a target angle. Methods Parameters: ensemble (Ensemble) selector (Selector) calculate_all_scores()¶ Return type: None calculate_score(conformer, conformer_id)¶ Parameters: conformer (Conformer) conformer_id (int) Return type: float get_all_scores()¶ Return type: Iterable[float] get_all_scores_by_id()¶ Return type: dict[int, float] get_data()¶ Return type: dict[str, float] get_minimum()¶ Return type: Conformer get_minimum_id()¶ Return type: int