[Cdk-user] resonance structure generator?

[Nick V. <Nick.Vandewiele@UGent.be>]

Hi,

 

Given a specified compound in which a conjugation system is present and one
defines this compound by one of its resonance structures, is it possible to
generate the other corresponding resonance structures?

 

I know that CDK is able to detect conjugated systems in an IAtomContainer
through ConjugatedPiSystemsDetector but I haven't found any CDK types that
are able to generate all possible resonance structures.

 

Thanks in advance,

 

Nick VANDEWIELE