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Re: ChemAxon calculated properties [message #225 is a reply to message #219]

Sun, 05 February 2017 23:02

thomas
Messages: 651
Registered: June 2014

Senior Member

your procedure seems correct. I need to verify that, but I can only try with an old version,
because we didn't update since quite a while.

Can you start DataWarrior from the command line? Do you get any error message then?
Are your checkboxes for pKa and LogD in the property prediction dialog enabled?
If not, then you either have a problem with the class path or you miss the file
/chemaxon/marvin/calculations/pKaPlugin.class in your capka.jar?
It is part of the ChemAxon pKa-Plugin. Can you check for that class file?

Regards, Thomas

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[Message index]

		ChemAxon calculated properties By: drc007 on Fri, 25 July 2014 21:16
		Re: ChemAxon calculated properties By: ffadmin on Sat, 02 August 2014 12:37
		Re: ChemAxon calculated properties By: MussaQ on Thu, 04 December 2014 17:46
		Re: ChemAxon calculated properties By: thomas on Thu, 04 December 2014 22:55
		Re: ChemAxon calculated properties By: MussaQ on Fri, 05 December 2014 20:15
		Re: ChemAxon calculated properties By: thomas on Mon, 08 December 2014 20:52
		Re: ChemAxon calculated properties By: MussaQ on Wed, 10 December 2014 12:49
		Re: ChemAxon calculated properties By: thomas on Wed, 10 December 2014 21:07
		Re: ChemAxon calculated properties By: thomas on Thu, 11 December 2014 20:50
		Re: ChemAxon calculated properties By: chemist on Tue, 17 January 2017 10:45
		Re: ChemAxon calculated properties By: thomas on Sun, 05 February 2017 23:02
		Re: ChemAxon calculated properties By: thomas on Mon, 27 June 2022 18:26
		Re: ChemAxon calculated properties By: Christophe on Thu, 30 June 2022 13:17

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