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Return molecule with fixed bond orders
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olas committed Jun 27, 2012
1 parent 9bed89a commit b4a2d54
Showing 1 changed file with 1 addition and 1 deletion.
Expand Up @@ -991,7 +991,7 @@ public ICDKMolecule fromSMILES(String smilesDescription)
throw new BioclipseException("SMILES string is invalid. Error message said: " + e.getMessage(), e);
}
try {
fbot.kekuliseAromaticRings(molecule);
molecule = fbot.kekuliseAromaticRings(molecule);
} catch (CDKException exception) {
logger.warn("Could not figure out the double bond positions: " + exception.getMessage());
}
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