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Duplicates removal

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isi Joined: 11 Jan 2005 Posts: 26 Back to top	Post subject: Duplicates removal Posted: Wed Jul 23, 2008 8:39 am  Hi, I used IJC 2.3.1 to import an SD file with "Duplicates filtering" option. I set the following actions in Standardizer configuration: - Aromatize - Remove explicit H - Clear stereo The enclosed SD file is an example of 3 duplicates (with double bond stereo) that couldn't be removed. Thank you in advance for your help. ISI  Filename: duplicates.sdf    Filesize: 20.48 KB    Downloaded: 145 Time(s)  Description:
tdudgeon Joined: 05 Oct 2004 Posts: 775 IJC personnel Back to top	Post subject: Posted: Wed Jul 23, 2008 9:46 am  It looks like the clear stereo is not working correctly for double dond stereo. We will investigate this and fix the problem. Many thanks for reporting it. Tim
Zsolt Joined: 11 Jan 2006 Posts: 446 ChemAxon personnel Back to top	Post subject: Posted: Wed Jul 23, 2008 11:29 am  Hi ISI, Could you post (attach) your Standardizer XML configuration file? Zsolt
isi Joined: 11 Jan 2005 Posts: 26 Back to top	Post subject: Posted: Wed Jul 23, 2008 4:41 pm  Hi Zsolt, Attached the Standardizer xml file exported from IJC. It includes only the above mentioned actions. Regards, ISI  Filename: stdz_duplicates.xml    Filesize: 394 Bytes    Downloaded: 148 Time(s)  Description:
Zsolt Joined: 11 Jan 2006 Posts: 446 ChemAxon personnel Back to top	Post subject: Posted: Tue Aug 05, 2008 6:56 pm  tdudgeon wrote: It looks like the clear stereo is not working correctly for double dond stereo. We will investigate this and fix the problem. We fixed this bug. The fix will be available in JChem 5.1. Zsolt
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