On 15/11/2010 14:48, Fredrik Wallner wrote:
> Hi!
>
> Thank you for the answers Chris! I can confirm that the workaround solved my
> problem.
> I still have to say that I find it unintuitive that a SMARTS with an explicit
> H wouldn't match a compound with an implicit H. Even though it is implic
On 15/11/2010 12:17, Fredrik Wallner wrote:
> Hi all!
>
> I'm having some problems with SMART matching...
>
> # This is the query I would like to have worked, without modifications
> on either molecule or SMARTS
> $ echo "OCCOc1c1C=C1C(=O)NC(=S)NC1=O" | obabel -ismi -ocan
> -s'[#6]-1(-[#6](~[!#
Hi all!
I'm having some problems with SMART matching that I don't really know if they
are due to my not complete understanding of SMARTS or if there is some kind of
bug within Open Babel. I'm using Open Babel 2.3.0, the prebuilt Mac version on
a MacBook running OS X 10.6.5. I was playing around
