openmolecules.org Forum: Cheminformatics

Home » DataWarrior » Cheminformatics » Find similars (all information not captured)

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

Find similars [message #1559]

Mon, 21 March 2022 13:36

sansun
Messages: 50
Registered: April 2019

Member

I am trying to find 'similar' molecules in a file. I am selecting another datawarrior file in the dialogue box.
As usual it creates additional coloumns highest similarity and most similar structures. However, in certain cases it is showing similarity value but not the structure and vice versa. See attached snapshot.
I am using the latest official release.

/forum/index.php?t=getfile&id=546&private=0

/forum/index.php?t=getfile&id=546&private=0

Attachment: Capture.PNG
(Size: 18.11KB, Downloaded 734 times)

Report message to a moderator

[Message index]

		Find similars By: sansun on Mon, 21 March 2022 13:36
		Re: Find similars By: nbehrnd on Tue, 22 March 2022 12:45
		Re: Find similars By: thomas on Sat, 02 April 2022 16:47
		Re: Find similars By: sansun on Fri, 15 July 2022 09:34

Previous Topic:	Developing plugins using SDK2
Next Topic:	Find similars using Flexophore

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Dec 15 20:38:59 CET 2025

Total time taken to generate the page: 0.63437 seconds