Ways to differentiate [R1] and [R2] in molecule

In Marvin API is there a way to find out which atom is [R1] and [R2] if there are defined in the molecule. Thanks. dong

Dear dlee,

I think, this code snippet can help you:

            Molecule m;

            for(int i=0; i<m.getAtomCount(); ++i) {

                MolAtom a = m.getAtom(i);

                if(a.getAtno() == MolAtom.RGROUP && a.getRgroup() == 1) {

                    System.out.println("This is R1:\t"+a);

                }

                if(a.getAtno() == MolAtom.RGROUP && a.getRgroup() == 2) {

                    System.out.println("This is R2:\t"+a);

                }

            }

Regards:
Balázs 

thanks, it does. this is a common thing pepope will do when they parse a template drawing

Dong