Convert double bonds to wiggly representation

User 39a721b0a5

24-11-2008 07:30:40

Hi,





When I am trying to convert double bonds with unspecified CIS/TRANS stereo information to wiggly or crossed representation, I am not getting the desired output. My input, output and the xml configuration files have been attached.





I have 10K records in an sd file and I want to convert the double bond representations for only 200 structures those are having unknown double bond configurations. Will this tool convert all the double bonds of input sdf into wiggly representation? Or can we customize this tool to execute this task only for 200 structures?





Thanks in advance.


Henry

ChemAxon d76e6e95eb

24-11-2008 09:47:37

Not your attached input nor output contains unspecified double bond. So nothing happens during the conversion on my computer. Which version of Standardizer are you using?

User 39a721b0a5

24-11-2008 11:33:54

Version 5.1.2

ChemAxon d76e6e95eb

28-11-2008 14:12:00

Which molecule can be used to reproduce the problem you reported?





Input.sdf contains one molecule, and it has a trans double bond. So the convert double bonds action of Standardizer does not change it. That action applies to unspecified double bonds only (straigth, wiggly, crossed).