Re: [Open Babel] Combine two SMARTS patterns

[Rajarshi G. <rg...@in...>]

You might take a look at

http://www.daylight.com/meetings/emug00/Sayle/substruct.html

which talks about SMARTS query optimizations

On Mar 5, 2009, at 10:43 AM, Andreas Maunz wrote:

> I was wondering if there is a possibility to combine two distinct  
> smarts
> patterns. Of course, there is the comma OR operator (s1,s2), but I was
> thinking of a more sophisticated combination, where equal parts of s1
> and s2 are "mapped onto each other" in a way such that merely the
> exclusive parts of s1 and s2 are connected via OR to the common core
> structure, where possible? Perhaps s1 and s2 can be matched to a  
> common
> molecule and the result be expressed as a new smarts s12?
> Thanks, Andreas
>
> -- 
> http://www.maunz.de
>
>    I do know everything, just not all at once. It's a virtual memory
> problem.
>
> ------------------------------------------------------------------------------
> Open Source Business Conference (OSBC), March 24-25, 2009, San  
> Francisco, CA
> -OSBC tackles the biggest issue in open source: Open Sourcing the  
> Enterprise
> -Strategies to boost innovation and cut costs with open source  
> participation
> -Receive a $600 discount off the registration fee with the source  
> code: SFAD
> http://p.sf.net/sfu/XcvMzF8H
> _______________________________________________
> OpenBabel-discuss mailing list
> Ope...@li...
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

-------------------------------------------------------------------
Rajarshi Guha  <rg...@in...>
GPG Fingerprint: D070 5427 CC5B 7938 929C  DD13 66A1 922C 51E7 9E84
-------------------------------------------------------------------
Q:  What's polite and works for the phone company?
A:  A deferential operator.