Reference ABCMolecule ABCMolecule.delete

ABCMolecule.delete

delete(index, inplace=False)

Delete INDEXED atoms in ABCMolecule.

Parameters:

• index (MolIndex) –

  MolIndex can be a list of strings or integers or a single string or int that is either an atom number, species+species number (Molden style), or species.

• inplace (bool, default: False ) –

  If True, perform operation in-place.

Returns:

• ABCMolecule –

  ABCMolecule object with selected atoms deleted.