Dearomatize in Export

User b23fba3ce7

15-01-2008 17:06:38

Is there a way to dearomatize molecules during an SD export using the chemaxon.jchem.db.Exporter class?

ChemAxon fa971619eb

15-01-2008 17:13:47

I moved this to the Structure editing and viewing forum as it is more appropriate here than the Instant JChem forum where it first appeared.

ChemAxon e274e1bada

18-01-2008 18:10:42

Hi Anthony,





Dearomatize molecules with jchem.db.Exporter is no possible at the moment, but we are considering to implement a method which can handle Marvin's export format strings in the future.





I suggest another way to dearomatization, but without jchem.db.Exporter.


You should getting your molecules from cd_structures field and make molecule objects with MolImporter one by one. After dearomatization you can use MolExporter for export to SD file.





regards, Edvard