openmolecules.org Forum: Cheminformatics » Visualising SMILES string

Home » DataWarrior » Cheminformatics » Visualising SMILES string

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

Visualising SMILES string [message #1256]

Thu, 18 March 2021 10:55

amorrison
Messages: 38
Registered: March 2016

Member

Hi Thomas,

I have a smiles string with an attachment point that has been created in another application, e.g. C1CCC([*:1])CC1. Datawarrior fails to identify it as a valid smiles either on paste or convert structure to name. I'm assuming it's the '*:1' that is the issue. Can I modify the smiles so it can be interpreted by Datawarrior?

many thanks in advance,

Angus

Report message to a moderator

[Message index]

		Visualising SMILES string By: amorrison on Thu, 18 March 2021 10:55
		Re: Visualising SMILES string By: thomas on Sat, 20 March 2021 15:07
		Re: Visualising SMILES string By: amorrison on Sun, 21 March 2021 05:00
		Re: Visualising SMILES string By: thomas on Tue, 23 March 2021 16:38
		Re: Visualising SMILES string By: amorrison on Fri, 26 March 2021 09:31

Previous Topic:	Drug Likeness vs Drug Score
Next Topic:	Count # scaffolds by plate ID

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Jun 04 17:27:01 CEST 2025

Total time taken to generate the page: 0.19377 seconds