Hi, I'm using the following code to read in an SD file from a String:
MDLReader reader = new MDLReader(new StringReader(sdf));
ChemFile chemfile = (ChemFile) reader.read(new ChemFile());
IChemSequence seq = chemfile.getChemSequence(0);
IChemModel model = seq.getChemModel(0);
IMoleculeSet moleculeSet = model.getMoleculeSet();
IMolecule molecule = moleculeSet.getMolecule(0);
(I've attached the SD file to this mail).
However when I do
molecule.getProperty(CDKConstants.TITLE) it gives me a null rather than
the expected title.
Am I doing something wrong here?
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Rajarshi Guha <[EMAIL PROTECTED]>
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