Reference ABCMolecule ABCMolecule.append

ABCMolecule.append

append(new_coords, positional, inplace=False)

To add coords to the current ABCMolecule.atoms attribute.

Parameters:

• new_coords (ABCCoord or list[ABCCoord]) –

  List of new coords to add to new object.

• positional (bool) –

  True if coords are positional coordinates. False if they are cartesian coordinates.

• inplace (bool, default: False ) –

  If True, perform operation in-place.

Returns:

• ABCMolecule –

  ABCMolecule object with new atoms.