openmolecules.org Forum: Cheminformatics » Optional automatic protonation feature of Nitrogen in DW using EL

Home » DataWarrior » Cheminformatics » Optional automatic protonation feature of Nitrogen in DW using EL

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

Re: Optional automatic protonation feature of Nitrogen in DW using EL [message #1841 is a reply to message #1830]

Tue, 07 February 2023 16:09

thomas
Messages: 747
Registered: June 2014

Senior Member

I just deployed an update with this thing solved, but realized that the conformation generation has a fundamental dewsign flaw, which I need to tackle. Thus, another update will follow later...

Report message to a moderator

[Message index]

		Optional automatic protonation feature of Nitrogen in DW using EL By: Jo W on Mon, 30 January 2023 13:59
		Re: Optional automatic protonation feature of Nitrogen in DW using EL By: thomas on Wed, 01 February 2023 01:04
		Re: Optional automatic protonation feature of Nitrogen in DW using EL By: Jo W on Wed, 01 February 2023 16:23
		Re: Optional automatic protonation feature of Nitrogen in DW using EL By: thomas on Thu, 02 February 2023 12:03
		Re: Optional automatic protonation feature of Nitrogen in DW using EL By: thomas on Tue, 07 February 2023 16:09
		Re: Optional automatic protonation feature of Nitrogen in DW using EL By: Jo W on Thu, 09 February 2023 00:14
		Re: Optional automatic protonation feature of Nitrogen in DW using EL By: thomas on Thu, 09 February 2023 22:00

Previous Topic:	Protonation state of cmpds
Next Topic:	Generate 2D atom coordinates gives overlapping atoms

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Aug 19 21:42:54 CEST 2026

Total time taken to generate the page: 0.00610 seconds