openmolecules.org Forum: Bug Reports » Combinatorial library issues

Home » DataWarrior » Bug Reports » Combinatorial library issues

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

Re: Combinatorial library issues [message #871 is a reply to message #835]

Fri, 24 April 2020 10:45

amorrison
Messages: 38
Registered: March 2016

Member

Hi Thomas,
I too have been having some issues with combinatorial enumeration. I've attached a couple of screenshots of a fairly simple pyrazole formation where I would like to include anilines and aminopyridines. I think the reaction and mapping looks right, but it wont accept the aniline example.
Any help would be appreciated.
Thanks,
Angus

Attachment: reaction.png
(Size: 13.03KB, Downloaded 489 times)
Attachment: Error_DoesNotQualify.png
(Size: 53.42KB, Downloaded 500 times)

Report message to a moderator

[Message index]

		Combinatorial library issues By: timritchie on Sat, 28 March 2020 12:24
		Re: Combinatorial library issues By: thomas on Sun, 29 March 2020 14:08
		Re: Combinatorial library issues By: amorrison on Fri, 24 April 2020 10:45
		Re: Combinatorial library issues By: thomas on Sun, 26 April 2020 18:24
		Re: Combinatorial library issues By: amorrison on Mon, 27 April 2020 13:41

Previous Topic:	3D coordinates of hydrogen atom lost for structures containing positive charged nitrogen
Next Topic:	Evolutionary algorithm

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Oct 15 01:24:55 CEST 2025

Total time taken to generate the page: 0.33264 seconds