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Re: Error on attempting to generate conformers [message #1708 is a reply to message #1705]

Sat, 27 August 2022 12:14

thomas
Messages: 744
Registered: June 2014

Senior Member

Hi Paul,

many thanks for reporting this serious issue. I was not aware of it, because I always tested with the capka.jar file in my classpath, which provides chemaxon pKa calculation. I had slightly changed the way, how that file would be recognized and used, which caused the problem. I have fixed and tested now with and without capka.jar.

Now conformer and property calculation work again in the newest dev version...

Thomas

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[Message index]

		Error on attempting to generate conformers By: Paul on Thu, 25 August 2022 00:08
		Re: Error on attempting to generate conformers By: thomas on Sat, 27 August 2022 12:14
		Re: Error on attempting to generate conformers By: Paul on Mon, 29 August 2022 17:18

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