On Fri, May 15, 2009 at 4:11 PM, Martin Guetlein <martin.guetl...@googlemail.com> wrote: > Thanks for the fast answer. > Unfortunately, the solution wont work for me, as I need the atom ids > of the search-fragment in the molecule (what getSubgraphAtomsMap/s() > does/should do).
Never used the getId1() myself... are those the same as IAtom/IBond.getId() ? Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------------ Crystal Reports - New Free Runtime and 30 Day Trial Check out the new simplified licensing option that enables unlimited royalty-free distribution of the report engine for externally facing server and web deployment. http://p.sf.net/sfu/businessobjects _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
