openmolecules.org Forum: Cheminformatics » Find similars using Flexophore

Home » DataWarrior » Cheminformatics » Find similars using Flexophore (Error)

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

Sat, 16 July 2022 08:36

sansun
Messages: 50
Registered: April 2019

Member

Hi

I am getting the following error while trying to search similar compounds using the Flexophore descriptor in Datawarrior latest version (updated with the developmental version sometime in Jan).

It indicates a problem with 'atom type'. Several of these messages are popping up which, I am guessing, means a problem with more than one molecule.

How can I identify which molecule is giving the problem?

/forum/index.php?t=getfile&id=579&private=0

/forum/index.php?t=getfile&id=579&private=0

Also, this error box is quite elongated and doesn't fit the screen even though the actual message in it is limited to above. I had to move it a lot towards my left to see the 'ok' button to close it. However, I found right-clicking on the box also gives the option for closing it.

Thanks
SS

Attachment: error flexophore.PNG
(Size: 7.28KB, Downloaded 1215 times)

Report message to a moderator

[Message index]

		Find similars using Flexophore By: sansun on Sat, 16 July 2022 08:36
		Re: Find similars using Flexophore By: nbehrnd on Sat, 16 July 2022 09:16
		Re: Find similars using Flexophore By: sansun on Sat, 16 July 2022 13:02

Previous Topic:	Find similars
Next Topic:	Exporting a descriptor as a Textfile

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sat Jul 04 08:02:05 CEST 2026

Total time taken to generate the page: 0.00514 seconds