dihed_deriv

dihed_deriv(coords, i, j, k, l): 

Gives the derivative of the dihedral between i, j, k, and l with respect to the Cartesians Currently gives what are sometimes called the psi angles. Will be extended to also support more traditional phi angles

• coords: np.ndarray

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• i: int | Iterable[int]

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• j: int | Iterable[int]

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• k: int | Iterable[int]

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• l: int | Iterable[int]

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• :returns: np.ndarray

  derivatives of the dihedral with respect to atoms i, j, k, and l

Examples:

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