Hi,
I am searching for a number of active groups in molecules using smarts and
it so happens that some of the groups overlap. Thus would it be possible to
write a smart stating to find a group but it should not be part of another
group.
smartA = "Some Smart"
SmartB ='SecondSmart not part of SmartA'
Thanks
--
Regards/Groete/Mit freundlichen Grüßen/recuerdos/meilleures salutations/
distinti saluti/siong/duì yú/привет
Jurgens de Bruin
------------------------------------------------------------------------------
EMC VNX: the world's simplest storage, starting under $10K
The only unified storage solution that offers unified management
Up to 160% more powerful than alternatives and 25% more efficient.
Guaranteed. http://p.sf.net/sfu/emc-vnx-dev2dev
_______________________________________________
OpenBabel-scripting mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/openbabel-scripting