Re: [Cdk-user] Resonance isomers - Aromatic species

2016-08-12 Thread John M
Hi Florence, That code is quite old, given it looks like it doesn't work so I'll probably deprecate it... If I understand correctly there are three problems: 1) Not all resonance forms are generated 2) Non transitivity/round tripping, that is if I have resonsance forms a,b,c,d,etc I only get

[Cdk-user] Resonance isomers - Aromatic species

2016-08-12 Thread Florence Vermeire
Dear all, I encountered a problem during the usage of resonance isomers in CDK. We are working with aromatic species, the problem is the following: When we enter next two species, 7 isomers are generated for the first one and 5 for the second one.