Hi Rafal, this is a library class. You cannot run it directly as it has no main method. Check the API, e.g. at http://pele.farmbio.uu.se/nightly/api/org/openscience/cdk/fingerprint/EStateFingerprinter.html You need to write a program that reads an SDF using the SDF reader in the CDK and then call the FingerPrinter from your own code. This holds for most of the CDK classes. Sorry, but you need to learn more Java for this :)
Kind regards, Chris -- Dr. Christoph Steinbeck Head of Cheminformatics and Metabolism EMBL Outstation - European Bioinformatics Institute Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2640 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. On 3 Feb 2012, at 13:13, rafal kurczab wrote: > Dear all CDK Developers, > > I would like to start using CDK library but unfortunately I dont know how to > program in java. My question is concerned with simple use of this library. > My main aim is to build a simple bash script which will be using some java > classes iteratively (especialy for fingerprint calculations). I was wondering > how should i do it as simple as it is possible. I' ve checked this: I > compiled cdk to cdk-...jar and set up CLASSPATH by typing (in linux console): > CLASSPATH=/dane/homes/rafal/cdk-1.2.7.jar > export CLASSPATH > and the i tried to recall a given class : $ java > org.openscience.cdk.fingerprint.EStateFingerprinter something.sdf > > > and I,ve got > Exception in thread "main" java.lang.NoClassDefFoundError: > org/openscience/cdk/fingerprint/EStateFingerprinter > Caused by: java.lang.ClassNotFoundException: > org.openscience.cdk.fingerprint.EStateFingerprinter > 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) > Could not find the main class: > org.openscience.cdk.fingerprint.EStateFingerprinter. Program will exit. > > Is there any simple solution how should i do it right? > > I will be very appreciate for any help > > Best regards > > Rafal > > > ------------------------------------------------------------------------------ > Try before you buy = See our experts in action! > The most comprehensive online learning library for Microsoft developers > is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, > Metro Style Apps, more. Free future releases when you subscribe now! > http://p.sf.net/sfu/learndevnow-dev2_______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user ------------------------------------------------------------------------------ Try before you buy = See our experts in action! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-dev2 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
