logp - [OH-] - ArrayIndexOutOfBoundsException

./cxcalc "[OH-]" logp

 

ERROR:
Cannot run plugin: logP
0

STACK TRACE:
java.lang.ArrayIndexOutOfBoundsException: 0
    at chemaxon.struc.MolAtom.getBond(MolAtom.java:1684)
    at chemaxon.calculations.training.logp.LogPPredictionPreProcessor.isYLIDENO2(LogPPredictionPreProcessor.java:137)
    at chemaxon.calculations.training.logp.LogPPredictionPreProcessor.neutralizeMolecule(LogPPredictionPreProcessor.java:106)
    at chemaxon.calculations.training.logp.LogPPredictionPreProcessor.preprocess(LogPPredictionPreProcessor.java:54)
    at chemaxon.calculations.training.logp.LogPPredictionPreProcessor.preprocess(LogPPredictionPreProcessor.java:20)
    at chemaxon.calculations.training.logp.LogPPredictorImpl.getPreprocessedItem(LogPPredictorImpl.java:204)
    at chemaxon.calculations.training.logp.LogPPredictorImpl.predict(LogPPredictorImpl.java:261)
    at chemaxon.calculations.training.AtomicContributionBasedPredictor.predictWithError(AtomicContributionBasedPredictor.java:183)
    at chemaxon.calculations.training.logp.LogPPredictorImpl.predictWithError(LogPPredictorImpl.java:753)
    at chemaxon.marvin.calculations.logPPlugin.run(logPPlugin.java:527)
    at chemaxon.marvin.plugin.CalculatorPluginManager.runPlugin(CalculatorPluginManager.java:200)
    at chemaxon.marvin.plugin.CalculatorPluginManager.runPlugin(CalculatorPluginManager.java:184)
    at chemaxon.marvin.plugin.CalculatorPluginManager.runPlugin(CalculatorPluginManager.java:107)
    at chemaxon.marvin.plugin.CalculatorPluginManager.callback(CalculatorPluginManager.java:77)
    at chemaxon.marvin.plugin.PluginManager.callback(PluginManager.java:92)
    at chemaxon.marvin.common.swing.MolPanel$6.run(MolPanel.java:3981)

 

marvin version: 6.2.0

no error with version 5.11.4

Hi,

 

Thank you for reporting this bug. The fix will be available in the outgoing bug fix release.

 

Jozsi