openmolecules.org Forum: Bug Reports

Home » DataWarrior » Bug Reports » SMILES Code (Uncaught Exception:2)

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

Re: SMILES Code [message #2019 is a reply to message #2018]

Thu, 21 September 2023 04:06

Anne
Messages: 4
Registered: September 2023

Junior Member

Thank you so so much for your reply. I have sent the examples to you. Sorry that I spend some time to make this clear.

While I use “paste special” to transform the data from EXCEL, the SMILES code transform to each corresponding structure successfully without message.

While I try to add a whole new structure to the DataWarrior after the paste special step, countless messages will pop out. I need to correct my previous report. Regardless of the stereochemistry, the unexpected message will show. “CC(=O)C” also has the same outcome.

When I paste the “O[C@H]1[C@H](O)[C@@H](CO)OC=C1” to different conditions, different situations will show.

Please feel free to let me know any idea from you. I can try.

[Updated on: Thu, 21 September 2023 09:56]

Report message to a moderator

[Message index]

		SMILES Code By: Anne on Tue, 12 September 2023 09:27
		Re: SMILES Code By: thomas on Wed, 13 September 2023 17:53
		Re: SMILES Code By: Anne on Mon, 18 September 2023 10:55
		Re: SMILES Code By: thomas on Tue, 19 September 2023 23:01
		Re: SMILES Code By: thomas on Wed, 20 September 2023 13:03
		Re: SMILES Code By: Anne on Thu, 21 September 2023 04:06
		Re: SMILES Code By: thomas on Fri, 22 September 2023 11:43
		Re: SMILES Code By: Anne on Mon, 25 September 2023 07:22

Previous Topic:	Copy-paste for structures throwing error in the master branch
Next Topic:	.csv file cannot open DIRECTLY in Version 6

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sat Nov 23 08:44:15 CET 2024

Total time taken to generate the page: 0.03972 seconds