logPPlugin Error

User 2347372188

23-08-2011 16:27:42

Hello.  I'm getting this Exception using logPPlugin (version 5.5.1.0):


 



java.lang.ArrayIndexOutOfBoundsException: 2


at chemaxon.calculations.pKa.getAvarageAliphaticRingCharge(Unknown Source)


at chemaxon.calculations.pKa.getOHAcidicpKa(Unknown Source)


at chemaxon.calculations.pKa.getAlcoholicAcidicpKa(Unknown Source)


at chemaxon.calculations.pKa.getApKa(Unknown Source)


at chemaxon.calculations.pKa.getAcidicpKa(Unknown Source)


at chemaxon.calculations.Ionizer.initMicropk0(Unknown Source)


at chemaxon.calculations.Ionizer.calcStartValues(Unknown Source)


at chemaxon.calculations.Ionizer.initMsCalculation(Unknown Source)


at chemaxon.calculations.Ionizer.calcMicroSpecies(Unknown Source)


at chemaxon.calculations.Ionizer.getMajorMicroSpecies(Unknown Source)


at chemaxon.marvin.calculations.MajorMicrospeciesAccessorPlugin.getMajorMicroSpecies(Unknown Source)


at chemaxon.marvin.calculations.MajorMicrospeciesAccessorPlugin.createModifiedInputMolecule(Unknown Source)


at chemaxon.marvin.plugin.CalculatorPlugin.setMolecule(Unknown Source)



Unfortunately, I can't include the smiles that generated this error, because it's proprietary.


 


-&

ChemAxon e08c317633

25-08-2011 16:50:05

We will investigate this error, and we will fix it ASAP.


Zsolt

ChemAxon 2136dd2f4b

30-08-2012 14:08:23

Hi,


I have fixed a bug at this forum topic. The error message looks like yours.


https://www.chemaxon.com/forum/viewtopic.php?p=44081#44081


I would appreciate your feedback with the 5.11 version.


Thanks in advance.


Jozsi