On Thu, Mar 1, 2012 at 6:47 AM, Hans De Winter <[email protected]> wrote: > > > I always thought that by not specifying a 'count', it defaults to a count of > 1 (~ the SMARTS manual at the Daylight site: > http://www.daylight.com/daycgi_tutorials/depictmatch.cgi ). > Wouldn't that mean that [CH] should not match OCO? I checked it at the > Daylight site with their depict tool, and these are their defs: > > | OCO | C | Yes | > | OCO | [CH0] | No | > | OCO | [CH1] | No | > | OCO | [CH2] | Yes |
That's the behavior of SMARTS. and it will stay that way. I'm not aware of any such well-defined behavior for SMILES, which is what we're talking about here, so I think we have to make it up. -greg ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
