On Nov 16, 2009, at 1:46 PM, Andreas Maunz wrote:
> this is strictly speaking not an OB question: How can I match a SMARTS
> pattern with optional branch?
SMARTS matches each atom and bond term to an atom and bond. It does
not support optional terms.
> Is there a way to combine s1 and s2 into a single SMARTS expression?
Sadly, no. I seem to recall other molecular structure query languages
which are a bit more capable and which might support this, but my
recollection is they are a lot more verbose, and I can't think of any
references off-hand.
Andrew
[email protected]
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