MarvinSketch Applet :: Extraction of R Group IDs

User 7a95044e7d

22-05-2012 15:15:41

Hi,


I am currently trying to set up a Marvin Sketch Applet for a web service. I extract the molecular information from the Sketcher using the JMSketch.getMol() command, which exports the current molecule as SMILES. R-Groups are annotated in this string as

ChemAxon d26931946c

24-05-2012 14:13:20

Dear Matthias,


R-groups are not supported in SMILES format. I suggest to try mrv or cxsmiles if you need a one line notation instead.


 


Regards,


Peter

User 7a95044e7d

31-05-2012 16:38:28

Thank you very much for this information, Peter. The cxsmiles format is working fine for me.


 


All the best,


Matthias