openmolecules.org Forum: Functionality » Comparing Structure Files

Home » DataWarrior » Functionality » Comparing Structure Files (proble to use the "Find similar compound in other file" tool)

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

Comparing Structure Files [message #1470]

Wed, 12 January 2022 13:42

biolive31!!
Messages: 5
Registered: January 2022

Junior Member

Good morning I'am Olivier a new datawarior user !
I tried to use the "Find similar compound in other file" tool but it doesnt work.

I know that some molecule are similar to those in the "other file " and the tool did not find it . Any molecule is find similar. I try both comparison method , even to 70% of similarity any similar molecule is find .
Could you help me ?

Thank you

Olivier

Report message to a moderator

[Message index]

		Comparing Structure Files By: biolive31!! on Wed, 12 January 2022 13:42
		Re: Comparing Structure Files By: nbehrnd on Thu, 13 January 2022 23:44
		Re: Comparing Structure Files By: biolive31!! on Mon, 17 January 2022 14:39
		Re: Comparing Structure Files By: nbehrnd on Mon, 24 January 2022 13:36
		Re: Comparing Structure Files By: biolive31!! on Tue, 08 March 2022 15:37
		Re: Comparing Structure Files By: nbehrnd on Tue, 08 March 2022 23:06
		Re: Comparing Structure Files By: biolive31!! on Wed, 09 March 2022 22:52
		Re: Comparing Structure Files By: biolive31!! on Thu, 10 March 2022 10:58
		Re: Comparing Structure Files By: nbehrnd on Thu, 10 March 2022 19:37
		Re: Comparing Structure Files By: thomas on Tue, 05 April 2022 16:47

Previous Topic:	Video tutorial on using Datawarrior to undertake QSAR predictions
Next Topic:	search for conformers, empty column «minimization error»

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Nov 25 15:11:12 CET 2024

Total time taken to generate the page: 0.03790 seconds