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Visualising SMILES string [message #1256] Thu, 18 March 2021 10:55 Go to previous message
amorrison
Messages: 36
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
 
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