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Home » DataWarrior » Functionality » Row wise chemical reaction (Wish to combine Carboxylic acids in one column with AA in another, not combinatorially)
Re: Row wise chemical reaction [message #733 is a reply to message #724] Tue, 17 December 2019 23:16 Go to previous messageGo to previous message
thomas is currently offline  thomas
Messages: 655
Registered: June 2014
Senior Member
If I understand correctly, you don't only want to combine two molecules, you rather want to react them, which would require one more step on top of Norwid's suggestion. Without a few nasty hacks, this is not possible right now. It would need a new functionality, where you could selected one or multiple structure columns as starting materials and define a generic reaction with an equal number of generic reactants that defines how to construct the product.

This wouldn't be too complicated, but is still too much to be included in the upcoming update. Maybe after that...

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