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MoleculeAlign

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MoleculeAlign[ref, mol]
MoleculeAlign[ref, mol, {r1 -> m1, r2 -> m2, …}]
MoleculeAlign[ref, mol, patt]
MoleculeAlign[ref, {mol1, mol2, …}, patt]
MoleculeAlign[ref, mols, patt, prop]
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Related

MoleculeTransformationFunctionImageAlignMoleculeSubstructureCasesMoleculeMaximumCommonSubstructure

All 6300 functions · Use this from an MCP client