maplist

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maplist

by Andy D P :: Rate this Message:

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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]

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Re: maplist

by baoilleach :: Rate this Message:

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2009/11/8 macc_200 <macc_200@...>

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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