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

Re: Comparing Structure Files [message #1535 is a reply to message #1479]

Tue, 08 March 2022 15:37

biolive31!!
Messages: 5
Registered: January 2022

Junior Member

Dear Norwid,
Thank you to keep inform about this problem. Where the development version is downable ?
In addition in the version I used there is an other bugg in the fine similarity function when you slect Structure[FragFp] tools.
When you are using this tool to find similar compound in an other SDF file it work well only when you are not selecting colomuns to be copied into the file. When you select a colummn to copy into the file the similarity tool doesn't work.

Thank you for your help

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 Jul 07 06:43:58 CEST 2025

Total time taken to generate the page: 0.11369 seconds