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Reference ABCMolecule ABCMolecule.switch_to_direct

ABCMolecule.switch_to_direct

switch_to_direct(inplace=False)

Converts ABCMolecule coordinates to direct coordinates.

Parameters:

  • inplace (bool, default: False ) –

    If True, perform operation in-place.

Returns:

  • ABCMolecule

    Returns ABCMolecule object with direct coordinates.