Re: [Open Babel] Subgraph isomorphism

[Tim V. <tim...@gm...>]

Hi,

On Mon, Feb 20, 2012 at 8:08 PM, andi <ad...@mi...> wrote:
> Hi all,
>    I have two structures and when I perform OBIsomorphismMapper I get some
> unexpected results, and I wanted to double check my interpretation.
>
> When i do OBIsomorphismMapper on the two molecules( see images below), i
> expect the match to be the atoms adjacent of the non-ring bond, instead I'm
> getting a match in the ring.
>
> http://forums.openbabel.org/file/n4404825/molecule.png
> http://forums.openbabel.org/file/n4404825/fragment.png
>
> Is this correct?

Yes, you should get all unique matches there are. The query doesn't
specify that the bond should be in a ring or not.

Tim

>
> Thanks,
> Andi
>
> --
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