On Wed, Oct 10, 2012 at 11:29 AM, Thomas Strunz <[email protected]> wrote: > how can I extract individual unconnected structures from an AtomContainer?
Have a look at the ConnectivityChecker: http://pele.farmbio.uu.se/nightly-1.3.1/cdk-javadoc-1.4.0/org/openscience/cdk/graph/ConnectivityChecker.html Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
