openmolecules.org Forum: Cheminformatics » Protonation state of cmpds

Search
Help
Members
Register
Login
Home

Home » DataWarrior » Cheminformatics » Protonation state of cmpds (Any way to display if the compound is protonated or not )

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

Protonation state of cmpds [message #1764]

Fri, 11 November 2022 02:08

shwang
Messages: 1
Registered: November 2022

Junior Member

Hi,
I am new to DataWarrior, and I was wondering if there is any way that it can predict the total charge of the compound or display protonated state?
Thank you.

Report message to a moderator

[Message index]

		Protonation state of cmpds By: shwang on Fri, 11 November 2022 02:08
		Re: Protonation state of cmpds By: thomas on Fri, 11 November 2022 10:00

Previous Topic:	Add pharmacophores into the 3D-view ?
Next Topic:	Optional automatic protonation feature of Nitrogen in DW using EL

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Jan 28 17:24:49 CET 2026

Total time taken to generate the page: 1.10525 seconds