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Re: Visualising SMILES string [message #1258 is a reply to message #1257]

Sun, 21 March 2021 05:00

amorrison
Messages: 38
Registered: March 2016

Member

Thanks Thomas,

I've tried this. Doing a find and replace my smiles string becomes - C1CCC([*])CC1. If try a structure to name this is still not recognised as a valid smiles. If I remove the square bracket - C1CCC(*)CC1. I get the structure but lose the attachment point.

Sorry if this trivial I'm a med chemist and not so familiar with smiles syntax.

Thanks,

Angus

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[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

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