Extract Text Label for RGroup Molecule (R1, R2. etc)

User 8be70fdabc

30-04-2013 19:57:52

Hi, I have done a R-group decomposition. It looks like the following. On the ligand table header, if the molecules were converted to pictures, it reads R1 or R2. I couldn't figure out how to extract the text from molecule using API. Could someone please help?


 


ChemAxon 42004978e8

02-05-2013 15:52:37

Hi,


Given the molecule that's displayed as "R1" you only have to get the first atom of this molecule, and get it's rgroupID:


http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/struc/MolAtom.html#getRgroup%28%29


 


Regards,


Robert