JensKrumsieck/PorphyStruct

Detection Algorithm has Problems with Dimers

JensKrumsieck opened this issue 2 years ago · 2 comments

JensKrumsieck commented 2 years ago

e.g CCDC ref VATTOC

JensKrumsieck commented 2 years ago

Will hopefully be resolved with an update to the 2.0.x versions of ChemSharp which now uses my new Nodo Library https://github.com/JensKrumsieck/Nodo featuring subgraph isomorphism matching.
JensKrumsieck/ChemSharp@20d41e0 -> https://github.com/JensKrumsieck/ChemSharp/blob/20d41e0d88473871ec018a03f27eb0a244789634/ChemSharp.Molecules/Extensions/MoleculeGraphUtil.cs
https://github.com/JensKrumsieck/Nodo/tree/master/Nodo/Isomorphism

JensKrumsieck commented 2 years ago

New Improvement: c877085