[Cdk-devel] problem with the DescriptorCalculator command line util

[Egon W. <e.w...@sc...>]

Rajarshi,

when I run the DescriptorCalculator I get this exception:

Exception in thread "main" java.lang.NoClassDefFoundError: 
org/openscience/cdk/charges/GasteigerMarsiliPartialCharges
        at 
org.openscience.cdk.qsar.descriptors.molecular.BCUTDescriptor.calculate(BCUTDescriptor.java:297)
        at 
org.openscience.cdk.qsar.DescriptorEngine.process(DescriptorEngine.java:146)
        at 
org.openscience.cdk.applications.DescriptorCalculator.processMolecule(DescriptorCalculator.java:183)
        at 
org.openscience.cdk.applications.DescriptorCalculator.process(DescriptorCalculator.java:218)
        at 
org.openscience.cdk.applications.DescriptorCalculator.main(DescriptorCalculator.java:107)

This seems to be caused by your patch that makes it find IDescriptor's in the 
jars in the classpath...

I tried to have it use the PluginClassLoader which I'd written for loading 
CDKPlugin's... but that only got me stuck into other class load problems...
(See my patche and revert for the DescriptorEngine...)

Rajarshi, any idea how to get this working?

Egon

-- 
e.w...@sc...
Cologne University Bioinformatics Center (CUBIC)
Blog: http://chem-bla-ics.blogspot.com/
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