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Structure Checker - Infinite Loop?
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Brendan

Joined: 12 Jul 2012
Posts: 44

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Link to postPosted: Fri Jan 25, 2013 5:14 pmPost subject: Structure Checker - Infinite Loop? Reply with quote

Hi,

Attached is my config file for the Structure Checker, and a molecule that appears to cause the Checker to get stuck in an infinite loop. I've confirmed this with the java API and the standalone application.

I am using the latest version of the API and Structure Checker (version 5.11.5).

Cheers,

 

Brendan




 Filename: loopingMolecule.sdf    Filesize: 31.16 KB    Downloaded: 207 Time(s)
 Description:  

 Filename: newCheckerConfig.xml    Filesize: 4.8 KB    Downloaded: 176 Time(s)
 Description:  
Viktoria
ChemAxon personnel
Joined: 27 Dec 2010
Posts: 135

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Link to postPosted: Mon Jan 28, 2013 9:06 amPost subject: Reply with quote

Hi Brendan,

Thank you for reporting this problem; we could reproduce it. 
The fix will be available in version 5.12.x or 6.0.

Best regards,

Viktoria

Zsolt
ChemAxon personnel
Joined: 11 Jan 2006
Posts: 1163

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Link to postPosted: Wed Aug 28, 2013 2:24 pmPost subject: Reply with quote

This bug was fixed in version 6.0. Fix (2D clean) is still quite slow, but there's no infinite loop. 

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