if (!fileName.endsWith(".rxn")) {
fileName += ".rxn";
outFile = new File(fileName);
}
outFile=new File(fileName);
cow = new MDLRXNWriter(new FileWriter(outFile));
cow.write(model.getReactionSet());
cow.close();
if(jcpPanel instanceof JChemPaintPanel)
((JChemPaintPanel)jcpPanel).setTitle(jcpPanel.getChemModel().getID());
return outFile;