- MoleculeRecognize works with grayscale and color images.
- Hydrogen atoms not explicitly included in the image are not added to the resulting molecule, but are instead treated as implicit. MoleculeModify["AddHydrogens"][mol] can be used to make them explicit for the molecule mol.
- image should contain one or more 2D structure diagrams, returning a single Molecule object. Use ConnectedMoleculeComponents to retrieve the individual molecules.
- Coordinates detected from the image are stored in the AtomDiagramCoordinates option in the returned expression.
- Stereochemistry depicted by wedged and dashed bonds is automatically detected and stored in the StereochemistryElements option.
Examplesopen allclose all
Basic Examples (2)
Use MoleculePlot to visualize the result:
Introduced in 2020