2009/11/8 macc_200 <[email protected]>
> Hi,
> I am using OBSmartsPattern to find a few different ring systems but am
> running into difficulties in getting the matching patterns out with
> GetMapList.
> From sp.Match(testmol) I get "true" so it's found something. Then I think
> I need GetMapList to get the results out. I cannot understand the
> documentation with this (below) - does anyone have a python implementation
> of this as an example?
> thanks,
> Andy
>
>
>
> std::vector<std::vector<int> >& GetMapList ( ) [inline]
>
>
See pybel.Smarts.
>
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