Convert Double Bound

Hi,

 

I'm using Standardizer 5.10.4 and I would like to convert a Crossed double bond (Cis/trans unknown) to a flat double bound with the cis configuration (I don't want wiggly or up bond representation)  whenever the atomes are C=C or C=N or N=C or N=N.

Thanks in advance for you help

Hi,

Standardizer cannot convert crossed double bonds to exclusively cis (or trans) stereo representation; this feature is not available in Standardizer.

Best regards,

Viktoria

Do you have a solution to convert my molecules CMM1 into CMM1_result & CMM2 into CMM2-result?

Thanks

Crossed Double Bond Checker (in Structure Checker) can be used to identify crossed double bonds. Conversion to plain double bond is not possible currently, but you can implement an external fixer to do the conversion. Let me know if you are interested in implementing an external fixer.

Yes please, an external fixer than I can add on Standardizer  would be a very good solution. Thanks

Here you can find the Structure Checker Developer's Guide: http://www.chemaxon.com/marvin/help/developer/checker.html. Please let me know if you can implement the external fixer based on the description and the code examples of this guide.