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nasty functions not activated in 4.4.4 [message #222]

Sun, 05 February 2017 14:16

dataviz
Messages: 5
Registered: November 2016

Junior Member

Hello
it looks in version 4.4.4 that the search for nasty functions is not activated. The message seen in the column is: initialization error
many thanks

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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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Re: nasty functions not activated in 4.4.4 [message #247 is a reply to message #244]

Tue, 21 March 2017 20:43

thomas
Messages: 731
Registered: June 2014

Senior Member

Dear dataviz and arofab,

sorry, I notized your first message to late for version 4.5.1. In today's update 4.5.2 this issue is fixed.

Thanks for reporting,

Thomas

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