return;
}
try {
JFileChooser chooser = new JFileChooser();
chooser.setCurrentDirectory(jcpPanel.getCurrentWorkDirectory());
chooser.setFileView(new JCPFileView());
chooser.showSaveDialog(jcpPanel);
File outFile = chooser.getSelectedFile();
System.out.println(outFile);
List<IAtomContainer> molecules= jcpPanel.get2DHub().getRGroupHandler().getrGroupQuery().getAllConfigurations();
if (molecules.size() > 0) {