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Reference XYZMolecule XYZMolecule.rotate

XYZMolecule.rotate

rotate(axis, angle, unit='deg', about_centroid=True, inplace=False)

Rotate ALL atoms about designated axis.

Parameters:

  • axis ("{0 or 'x', 1 or 'y', 2 or 'z'}") –

    Parallel axis of rotation.

  • angle (float) –

    Angle of rotation.

  • unit ('deg' or 'rad', default: "deg" ) –

    Unit of angle argument.

  • about_centroid (bool, default: True ) –

    If True, rotation occurs about the centroid.

  • inplace (bool, default: False ) –

    If True, perform operation in-place.

Returns: