find R-Groups

User 86810cf9fa

21-03-2007 11:09:51

Dear support,





Is there a method (like molecule.getSgroupArray() to find all S-Groups) to find R-Groups into a molecule?





I attached an example of molecule





Best regards,





Severine

ChemAxon e500b51457

21-03-2007 13:15:14

Dear Severine,





Your molecule doesn't contain real R-Groups. The included R-Group atoms from the example molecule can be retrieved by


checking the type of the atoms in the molecule with
Code:
 atom.getAtno() == MolAtom.RGROUP
condition.


See the attached example.





Best Regards,


Erika

User 86810cf9fa

21-03-2007 14:38:55

Thank you very much Erika





Best Regards


Severine