Duplicates removal

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

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

Hi ISI,





Could you post (attach) your Standardizer XML configuration file?





Zsolt

Hi Zsolt,





Attached the Standardizer xml file exported from IJC. It includes only the above mentioned actions.





Regards,


ISI

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