|
Hi,
I read in a smile eg c1ccccc1
SmilesParser sp=new SmilesParser(); Org…AtomContainter mol=sp.parseSmiles(c1ccccc1);
Then:
Mol.getAtomAt(0).getMaxBondOrder();
I get 0.0. Is this a cdk bug or do I miss something?
Best regards
Christian
|
- [Cdk-user] MaxBondOrder from Smiles seems not to work Christian Hoppe
- Re: [Cdk-user] MaxBondOrder from Smiles seems not... Christoph Steinbeck

