openmolecules.org Forum: Bug Reports » Aromaticity perception

Home » DataWarrior » Bug Reports » Aromaticity perception (Issues with kekulising aromatic structures)

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

Re: Aromaticity perception [message #971 is a reply to message #967]

Sun, 28 June 2020 00:14

richards99
Messages: 42
Registered: May 2020
Location: UK

Member

Okay, worked out now how to attach the file.
Attached is the SDF file which is problematic for DW, and a snapshot showing the difference between importing as smiles or SDF.

Simon.

Attachment: Screenshot 2020-06-27 at 23.06.40.png
(Size: 306.61KB, Downloaded 899 times)
Attachment: Aromatised.sdf
(Size: 7.75KB, Downloaded 512 times)

Report message to a moderator

[Message index]

		Aromaticity perception By: richards99 on Thu, 25 June 2020 22:38
		Re: Aromaticity perception By: nbehrnd on Fri, 26 June 2020 10:13
		Re: Aromaticity perception By: richards99 on Sun, 28 June 2020 00:09
		Re: Aromaticity perception By: richards99 on Sun, 28 June 2020 00:14
		Re: Aromaticity perception By: nbehrnd on Sun, 28 June 2020 23:57
		Re: Aromaticity perception By: thomas on Thu, 02 July 2020 14:41

Previous Topic:	Rounding behavior changed?
Next Topic:	Molecule Displayed Incorrectly

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sat Jul 05 11:00:28 CEST 2025

Total time taken to generate the page: 0.06464 seconds