Sorry, my previous email has a typo. According to the following link,
http://www.rdkit.org/docs/RDKit_Book.html I get sample code for identifying aromatic bonds like >>> from rdkit import Chem >>> m=Chem.MolFromSmiles('O=C1C=CC(=O)C2=C1OC=CO2') >>> m.GetBondBetweenAtoms(6,7).GetIsAromatic() Is there a way to identify anti-aromatic bonds using Rdkit? Thanks. Yingfeng On Mon, Aug 24, 2015 at 9:38 PM, Yingfeng Wang <[email protected]> wrote: > According to the following link, > > http://www.rdkit.org/docs/RDKit_Book.html > > I get sample code for identifying identify anti-aromatic bonds like > > >>> from rdkit import Chem > >>> m=Chem.MolFromSmiles('O=C1C=CC(=O)C2=C1OC=CO2') > >>> m.GetBondBetweenAtoms(6,7).GetIsAromatic() > > Is there a way to identify anti-aromatic bonds using Rdkit? > > Thanks. > > Yingfeng >
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