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    Interface MoleculeInventCoordinatesOptions

    interface MoleculeInventCoordinatesOptions {
        keepHydrogens?: boolean;
        keepMarkedAtomCoordinates?: boolean;
        preferMarkedAtomCoordinates?: boolean;
        seed?: number;
        skipDefaultTemplates?: boolean;
    }
    Index

    Properties

    keepHydrogens? keepMarkedAtomCoordinates? preferMarkedAtomCoordinates? seed? skipDefaultTemplates?

    Properties

    keepHydrogens?: boolean

    Whether to keep implicit hydrogens in the molecule. By default, they are removed.

    keepMarkedAtomCoordinates?: boolean

    Whether marked atoms keep their coordinates.

    preferMarkedAtomCoordinates?: boolean

    Whether coordinates of marked atoms are changed only if perfect coordinates are not possible without.

    seed?: number

    Seed used to initialize the random number generator. Pass -1 to use a non-deterministic seed.

    0
    skipDefaultTemplates?: boolean

    Unless this is set to true, the CoordinateInventor uses templates of the InventorDefaultTemplateList to create 3D-projection derived coordinates for polycyclic structures from these templates (adamantanes, cubane, etc.).

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