Created
February 15, 2009 14:02
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| // script that shows how the CDK parses SMILES | |
| mol1 = cdk.fromSMILES("C") | |
| mol2 = cdk.fromSMILES("[13C]") | |
| cdx.diff(mol1, mol2) | |
| // output: | |
| // AtomContainerDiff{AtomDiff{H:4/0, AtomTypeDiff{IsotopeDiff{MN:NA/13}}}} |
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