i want to find the atom in the given molcule is part of how many ring and what is the size of those ring?

 

i have checked org.openscience.cdk.ringsearch package i am aware about the smallest set and essential set of rings and algorithm behind

that.

 

all we get back is IRingSet suppose the code we have written is ..

                molecule = (Molecule)reader.read(new Molecule());
                IRingSet rs = new SSSRFinder().findSSSR(molecule);// further i will replace this deprecated method with newer one.

 

this is sufficient if one want to know the atom is participating in the ring or not ,but if i want the ring size (Largest ring ) of the atom

then how should i quiry this IRingSet.

or is there any other way..

Thanks in advance..

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sushil ronghe
Center of Pharmacoinformatics
India
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