Function toVisualizerMolfile

Parameters

• molecule: Molecule

  The molecule to convert.

• Optionaloptions: {
      atomMapNo?: boolean;
      collapseHydrogens?: boolean;
      customAtomLabel?: boolean;
      diastereotopic?: boolean;
      heavyAtomHydrogen?: boolean;
  } = {}

  Options to control atom highlighting and grouping.

  • OptionalatomMapNo?: boolean

    If true, group atoms by their atom map number. Atoms with no map number (0) are excluded from highlighting.

  • OptionalcollapseHydrogens?: boolean

    If true, remove explicit hydrogens from the molfile. Implies heavyAtomHydrogen.

  • OptionalcustomAtomLabel?: boolean

    If true, group atoms by their custom atom label. Atoms with no custom label are excluded from highlighting.

  • Optionaldiastereotopic?: boolean

    If true, group atoms by diastereotopic IDs.

  • OptionalheavyAtomHydrogen?: boolean

    If true, copy each hydrogen's highlight label to its parent heavy atom. When used with diastereotopic, implicit hydrogens are added internally to compute their diastereotopic IDs.