Hi,
I've just started using OpenBabel's C++ API for some SMARTS matching and
manipulating atom coordinates and it seems to be working very nicely - so
thanks very much to all the developers for providing such a good toolkit.
One of the things I'd like to be able to do is component-level grouping,
which the SMARTS matcher currently doesn't do (e.g. "[N].[O]"). However, the
relevant entry on the bug tracker is here:
http://sourceforge.net/tracker/index.php?func=detail&aid=1155479&group_id=40728&atid=428743
and there's a comment from ghutchis last year saying he should have some
code that does this fairly soon, so I guess this question is directed at
Geoff: Is this something that's stayed out because it's low priority or
because it turns out to be more difficult than anticipated?
If someone can point me in the right direction (and it doesn't involve major
re-writing of the smarts parser) I'd be happy to try and get this working...
Cheers,
Fred
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