Function ensureHeterotopicChiralBonds

  • ensureHeterotopicChiralBonds(
        molecule: Molecule,
        options?: { atLeastThreeAtoms?: boolean; esrType?: number },
    ): void

  • This function will add missing chiral bonds on carbons ensure that all enantiotopic or diastereotopic atoms can be identified uniquely

    Parameters

    • molecule: Molecule
    • Optionaloptions: { atLeastThreeAtoms?: boolean; esrType?: number } = {}
      • OptionalatLeastThreeAtoms?: boolean

        if true, only carbons with at least three atoms will be considered

      • OptionalesrType?: number

    Returns void

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