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Reaction Automapper bond highlighting?

Member for

8 years 2 months James Davidson

Hi Mikhail,

I have really appreciated all the recent work on reaction functionality in the Indigo nodes - thanks!

It occured to me that it would be very useful to have an option (possibly default behaviour?) in the Automapper node to highlight reacting bonds (Make/Break, Change, Make/Break/Change), as well as number-mapping the atoms.  What do you think?

Kind regards

James

Comments
Fri, 02/03/2012 - 08:17

Member for

7 years 7 months

richards99

I think thats a great idea, either to colour the bonds or put a double line through the bonds so you can see the breakage/formation points.

 

Simon.

Thu, 02/09/2012 - 03:13

Member for

6 years 9 months

asavelyev

Dear Simon and James.

The reacting centers handling can simply be implemented since such an option is supported internally in the indigo core. I think the new option will be added in the nearest future.

Thu, 04/19/2012 - 03:48

Member for

6 years 9 months

asavelyev

Hello all,

The new option named "Highlight Reacting Centers" was added to the Reaction Automapper settings. Within the option automapper corrects reacting centers of a reaction according to AAM. The new version will be available in the upcoming release.

With best regards,

Alexander