openmolecules.org Forum: Functionality » How to use "Create Combinatorial Library" function?

Home » DataWarrior » Functionality » How to use "Create Combinatorial Library" function?

Show: Today's Messages :: Polls :: Message Navigator

Re: How to use "Create Combinatorial Library" function? [message #153 is a reply to message #152]

Sat, 27 February 2016 16:11

thomas
Messages: 747
Registered: June 2014

Senior Member

Some of your atoms of the generic reactions were not mapped: methyl-C and carbonyl-O of acetic acid and methyl-C of methyl-amine. If you complete the mapping with the mapping tool by clicking any unmapped atom on the reactant side and drag it to the respective atom on the product side, then it works.

I admit that DataWarrior should provide a conclusive error message.

Report message to a moderator

[Message index]

		How to use "Create Combinatorial Library" function? By: Data_Center on Tue, 23 February 2016 19:32
		Re: How to use "Create Combinatorial Library" function? By: thomas on Sat, 27 February 2016 16:11

Previous Topic:	Drawing Multi-step reaction schemes.
Next Topic:	dwaq file format

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sat Jun 13 09:57:55 CEST 2026

Total time taken to generate the page: 0.00641 seconds