detecting assymetric carbons

Dear all,





I have been trying to write a method that detects assymetric carbons on a Molecule object. Using StereoConstants and getFlags or getChirality methods I could only get atoms with Parity flags.





For example on this compounds :


CC(C)(C)C1CCN(CC2=NC3=C(C=CC=C3)C=C2)C(CO)C1


I get not only atom 3 and 5, but also atom 20.





would there be a way to detect only atoms 3 and 5 ?





thx !





Vincent

Hi Vincent,





I think you need TopologyAnalyser.isAsymmetricAtom(int a)





Check out its API documentation:


http://www.chemaxon.com/marvin/doc/api/chemaxon/calculations/TopologyAnalyser.html#isAsymmetricAtom(int)





Best regards,


Szabolcs