I'm sure this is easy, but I can't find it. How to break a molecule onto its fragments when it is composed of multiple disconnected parts. e.g. the main molecule and its salt. I was expecting to find something like a
IAtomContainer[] getFragments(); method in IAtomContainer. Tim ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
