OpenBabelMolManager
name: str
__init__(self, mol, obmol=None):
load(self):
update(self, val):
apply_transformation(self, transf):
Applies a transformation to the held values
transf
:MolecularTransformation
:returns
:PropertyManager
insert_atoms(self, atoms, coords, where):
Handles the insertion of new atoms into the structure
atoms
:tuple[str]
coords
:CoordinateSet
where
:tuple[int]
:returns
:_
delete_atoms(self, where):
Handles the deletion from the structure
atoms
:tuple[str]
coords
:CoordinateSet
where
:tuple[int]
:returns
:_