Hi
Thanks a lot for your reply. I then use smiles for SMARTS.
Vinay
--- On Tue, 11/10/09, Geoffrey Hutchison <[email protected]> wrote:
From: Geoffrey Hutchison <[email protected]>
Subject: Re: [Open Babel] SMARTS to SMILES
To: "Vinay M" <[email protected]>
Cc: "babel" <[email protected]>
Received: Tuesday, November 10, 2009, 8:55 PM
> Thanks for your reply, i was using smiles to view the
>structure, so few are in smarts. I just wanted to convert smiles to smarts and
>smarts to smiles.
SMILES is a subset of SMARTS, so any SMILES string can be used as a SMARTS. The
reverse is not true. I can design many SMARTS, which are not valid SMILES. For
example [*] matches any atom.
So no, as Craig said, you cannot interconvert them.
-Geoff
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