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<http://cdk.sourceforge.net/api/org/openscience/cdk/ringsearch/package-summary.html>
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..
--
********************************
sushil ronghe
Center of Pharmacoinformatics
India
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