Dear CDK users, I made some progress in my attempt to run the NMRShiftDB-related PredictionTool application.
I downloaded predictorc.jar from ftp://ftp.ebi.ac.uk/pub/databases/nmrshiftdb/. I extracted the nmrshiftdb.csv file and the org directory. I downloaded cdk-1.4.7.jar and torque-3.3.jar I think I managed to start running the code, but I am stopped at: jmn@jmn-laptop:~/Predictor$ java -Xmx256m -classpath .:cdk-1.4.7.jar:torque-3.3.jar org.openscience.nmrshiftdb.PredictionTool myfile.sdf Exception in thread "main" java.lang.NoClassDefFoundError: org/openscience/nmrshiftdb/util/AtomUtils at org.openscience.nmrshiftdb.PredictionTool.main(PredictionTool.java:84) Caused by: java.lang.ClassNotFoundException: org.openscience.nmrshiftdb.util.AtomUtils at java.net.URLClassLoader$1.run(URLClassLoader.java:217) at java.security.AccessController.doPrivileged(Native Method) at java.net.URLClassLoader.findClass(URLClassLoader.java:205) at java.lang.ClassLoader.loadClass(ClassLoader.java:321) at sun.misc.Launcher$AppClassLoader.loadClass(Launcher.java:294) at java.lang.ClassLoader.loadClass(ClassLoader.java:266) ... 1 more I have not been able to find a jar file on the web with org/openscience/nmrshiftdb/util/AtomUtils inside. I gave up with cdk-core.jar and cdk-extras.jar as they seemed me to be fairly uncomplete. Best Regards, Jean-Marc Nuzillard ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
