| Chemaxon PKA (java exception occuring) [message #2416] |
Wed, 28 May 2025 13:24  |
jeffchem
Messages: 2
Registered: May 2025
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Junior Member |
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Hi DataWarrior folks.
I'm having an issue with the Chemaxon PKA calculation.
I'm trying to calculate the higest basic pKa; ChemAxon method under the Ionization section.
a) I have chemaxon license.
b) I am using the capka.jar (downloaded from Chemaxon site)
c) cLogD at ph=7.4; via logP and ChemAxon pKa works fine.
When I run DataWarrior from the command line and print to a log file. DataWarior.exe > out.txt
I can see that there is an exception occuring in the java code.
Unexpected ChemAxon Exception:java.lang.NoSuchMethodError: 'void chemaxon.marvin.calculations.pKaPlugin.setMolecule(chemaxon. struc.Molecule)'
Has anyone else encountered this issue? Any work arounds?
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