R-Group atoms in sdf file

User 217d927b31

29-06-2009 20:56:27

I used the menu, Atom-->R-group-->R? to add R1, R2, R3, R4 in a structure, when saved or exported  in sdf file, all R1,R2,R3,R4 were displayed as R#, how to decide which R# is R1?


 


Thanks

ChemAxon e500b51457

30-06-2009 08:23:27

Hello,

The RGP tag provides this information. The RGP line contains atom number and Rgroup number pairs to describe the connection.
For further information, see the specification of the RGP tag in this document:
http://www.mdli.com/downloads/public/ctfile/ctfile.jsp />
Best regards,
Erika