remove reacting center

ChemAxon 25dcd765a3

10-07-2013 11:49:09

We want to remove any reaction center from the molecule before getting displayed.


How to do it with the API?


Solution: to remove them from the bond flags:


for (MolBond b: m.getBondArray()){
   if ((b.getFlags() & MolBond.REACTING_CENTER_MASK) != 0){
       b.setFlags(0, MolBond.REACTING_CENTER_MASK);
   }
}