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Reference XYZMolecule XYZMolecule.get_centroid

XYZMolecule.get_centroid

get_centroid()

Returns 3d centroid of XYZMolecule atoms.

Returns:

  • tuple[float, float, float] –

    Tuple of (x_centroid,y_centroid,z_centroid) in Angstroms.