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Re: nasty functions not activated in 4.4.4 [message #244 is a reply to message #222]

Fri, 17 March 2017 10:09

arofab
Messages: 2
Registered: March 2017

Junior Member

Hello,
I can confirm that "Nasty Functions" compound properties processing also fails in newest 4.5.1 version.
It stopped working since 4.4.4 version (in version 4.4.3 it worked).

Looking at the source code, the error seems to be related to the "twice activated DB" function. By commenting out the corresponding line in com.actelion.research.chem.NastyFunctionDetector class, the calculation succeeds (obviously excluding "twice activated DB" detection).

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[Message index]

		nasty functions not activated in 4.4.4 By: dataviz on Sun, 05 February 2017 14:16
		Re: nasty functions not activated in 4.4.4 By: arofab on Fri, 17 March 2017 10:09
		Re: nasty functions not activated in 4.4.4 By: thomas on Tue, 21 March 2017 20:43

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