logPPlugin Error

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.

 

-&

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

Zsolt

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