openmolecules.org Forum: Functionality » Add reaction from structure

Home » DataWarrior » Functionality » Add reaction from structure

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

Add reaction from structure [message #1882]

Fri, 28 April 2023 03:18

yrin0878
Messages: 3
Registered: March 2023

Junior Member

Hi I'm beginner of datawarrior.
It is a good software to analyze chemical data.
But I have a problem.

I have over 100 building blocks, and I want to add a same reaction to all that building blocks.
But when I'm trying to add a reaction, I have to make a reaction column then, draw the reaction to each structures.
This takes too long time Sad

Can I apply one reaction to that all structures?
Tell me the way to deal with this problem.

Thank you

Attachment: datawarrior_Q.png
(Size: 157.96KB, Downloaded 443 times)

Report message to a moderator

[Message index]

		Add reaction from structure By: yrin0878 on Fri, 28 April 2023 03:18
		Re: Add reaction from structure By: thomas on Sat, 29 April 2023 14:24
		Re: Add reaction from structure By: yrin0878 on Wed, 10 May 2023 08:58
		Re: Add reaction from structure By: thomas on Mon, 22 May 2023 21:24

Previous Topic:	showing variable txt/values at "showMessage" macros
Next Topic:	Calculating similarity to one query compound

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Feb 23 04:32:08 CET 2026

Total time taken to generate the page: 0.00673 seconds