LibraryMCS Clustering - Ring bonds added to source structure

User 6f5b13c404

02-02-2011 14:39:33


I have discovered when running LibraryMCS in version (both programmatically and through the GUI app), that the output seems to set a ring-bond topology property on any of the source structures that have ring bonds.

You can see this easily enough on the demo data set that the LibMCS app has embedded.

Is this intentional? It causes SMILES export to fail since the generated string contains SMARTS features.



Ahmed Hussain

ChemAxon efa1591b5a

15-02-2011 14:57:40

Hi Hussein, 

this is a know issue which was fixed recently in version 5.4.1.


User 6f5b13c404

15-02-2011 15:04:33

Hi Miklos,

That's fantastic - will upgrade

Thanks very much,