diff --git a/lomap/gufe_bindings/mapper.py b/lomap/gufe_bindings/mapper.py index 9e87e4e..8815c5b 100644 --- a/lomap/gufe_bindings/mapper.py +++ b/lomap/gufe_bindings/mapper.py @@ -19,8 +19,8 @@ class LomapAtomMapper(AtomMapper): shift: bool def __init__(self, *, time: int = 20, threed: bool = True, - max3d: float = 1000.0, element_change: bool = True, - seed: str = '', shift: bool = True): + max3d: float = 1.0, element_change: bool = True, + seed: str = '', shift: bool = False): """Wraps the MCS atom mapper from Lomap. Kwargs are passed directly to the MCS class from Lomap for each mapping