Craig,
Craig A. James wrote on 11/17/2009 04:47 PM:
> One last thing to beware of. The recursive match is truly recursive,
> which means that only the "head" atom of the recursive expression is
> marked as "used" once the recursion finishes. For example, the smarts
> "C[$(CO)]O" would match the
Hello Craig,
Craig A. James wrote on 11/16/2009 06:12 PM:
> You may be able to do this using recursive SMARTS. In a recursive
> SMARTS, an atom expression can itself be a whole SMARTS, ad infinitum.
> And since an atom can be an OR list of alternatives, you can have an
> atom that is "This OR th
the position where the branch to "O" is attached mandatory ("P-"),
but not the part after the branch
Rajarshi Guha wrote on 11/16/2009 03:10 PM:
> On Mon, Nov 16, 2009 at 8:52 AM, Andrew Dalke
> wrote:
>
>> On Nov 16, 2009, at 1:46 PM, Andreas Maunz w
Hi list,
this is strictly speaking not an OB question: How can I match a SMARTS
pattern with optional branch?
Example: My compound is "C-C(-O)=C-C". The SMARTS expressions are
s1="[#6]-[#6](-[#8])=[#6]" matches, as well as s2="[#6]-[#6]=[#6]".
Since s2 is contained in s1 in terms of subgraphs, I w
