Dear all,
             Follow former email, I found the joelib2 terminate singularly, it gives the following message:
             INFO ] joelib2.example.FeatureCalculationExample - Calculate binary SMARTS and fingerprints...
21:18:49 [ERROR] joelib2.io.types.MDLSD                   - Can not convert string '' to type 'int' in line: 479                                                                            
joelib2.io.MoleculeIOException: Error in atom/bond definition line.
        at joelib2.io.types.MDLSD.readNumbers(Unknown Source)
        at joelib2.io.types.MDLSD.readMolecule(Unknown Source)
        at joelib2.io.types.MDLSD.read (Unknown Source)
        at joelib2.io.types.MDLSD.read(Unknown Source)
        at joelib2.example.FeatureCalculationExample.calculateNominalDescriptors(Unknown Source)
        at joelib2.example.FeatureCalculationExample.main (Unknown Source)
 
         I think it is the error that prevent the joelib from generating binary fingerprints, so what can I do? I just used the joelib2 binary version, and the command is : java joelib2.example.FeatureCalculationExample +SSKey  abc.SDF  abc.CTX
Kind regards,
figo
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The best way to predict the future is to invent it - Alan Kay