Re: [Open Babel] Combine two SMARTS patterns

[Andrew D. <da...@da...>]

On Mar 7, 2009, at 8:14 AM, Rajarshi Guha wrote:
> Hmm, a simple case seems to work: http://blog.rguha.net/?p=168

Sweet! I didn't know the CDK could handle that.

Your test was the MCS of

   c1ccccc1C(=O)C* and *C([N,S])C=O

to get *CC=O. One observation though is that test doesn't check any  
properties which aren't simple atom properties, like the "and" in  
[N,S]. What does it report with

   c1ccccc1[N,S](=O)C* and [N,S](=O)C* ?


Something else I was wondering about. In addition to normalization,  
should the two SMARTS terms

    [C,c]  and [!c]

be considered as a match, with the intersection being [C]?


				Andrew
				da...@da...