import java.util.ArrayList; import java.io.*; import chemaxon.reaction.*; import chemaxon.formats.*; import chemaxon.struc.*; public class StandardizerDemo { static public void main(String[] args) throws Exception { if (args.length < 2) { System.err.println("Usage: "); System.err.println(" java StandardizerDemo "); return; } // create Standardizer object Standardizer standardizer = new Standardizer(new File(args[0])); // standardize molecules MolImporter importer = new MolImporter(args[1]); MolExporter exporter = new MolExporter(System.out, importer.getFormat()); Molecule mol = null; while ((mol = importer.read()) != null) { standardizer.standardize(mol); exporter.write(mol); } importer.close(); exporter.close(); } }