Have you read the OpenSMILES spec? It's at http://opensmiles.org/spec/open-smiles-3-input.html#3.4: "It is permissable to re-use ring-closure numbers. Once a particular number has been encountered twice, that number is available again for subsequent ring closures."
HTH, Noel On 4 November 2011 21:12, giovannicianchetta <[email protected]> wrote: > Hi, > I am having a strange problem with openbabel and pybel. > look at the code below, please: > > >>>> import pybel >>>> mol=pybel.readstring('smi','c1ccccc1CCc2ccccc2') >>>> print mol > c1ccccc1CCc1ccccc1 > > as you can notice the second ring has been renumbered as 1 so now I have two > rings with the same index. > has anyone found this problem before? > is there a solution for this? > > thanks > > Giovanni > > -- > View this message in context: > http://forums.openbabel.org/pybel-ring-numbering-tp3991497p3991497.html > Sent from the openbabel-scripting mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > RSA(R) Conference 2012 > Save $700 by Nov 18 > Register now > http://p.sf.net/sfu/rsa-sfdev2dev1 > _______________________________________________ > OpenBabel-scripting mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-scripting > ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
