Error when calculating canonical tautomer

User f05f6b8c05

26-03-2012 10:47:59

Hi,


I get the following error when calculating the canonical tautomer for the attached structure:


 


Cannot run plugin: Tautomers


Invalid molecule for polarizibility calculation: CC1C(=C)S(O)(=O)=c2nc(=O)c(=CO)c(=O)[n]12


 


(MarvinSketch 5.8.0, XP)


Can you please clarify what this error means here?


Thanks,


Andrew

User 851ac690a0

26-03-2012 12:44:25

Hi,


 


Our "valence-checker" creates an error on this aromatic smiles " CC1C(=C)S(O)(=O)=c2nc(=O)c(=CO)c(=O)[n]12" . See the attached figure. This is a bug and it will be fixed asap.


 


Jozsi

User f05f6b8c05

27-03-2012 09:55:10

Thank you!