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: _

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