Insertion of "Any" atom or atom lists?

User 77bcbbb206

14-02-2006 01:42:18

Hi,





I've run into sort of a problem, I think. I have a list of smiles strings some of which have the "Any" char or "*" in them. They all seem to register correctly but I would think otherwise?





CC(*)=O





I have also tried inserting atom lists and they also seem to be registered correctly (with the list atoms simply being ignored).





C1CC[C,N,O]C1





Is this intended behavior?





Thanks much,


Jim

ChemAxon a3d59b832c

14-02-2006 09:25:02

Hi Jim,





Yes, that is fine. You can query the list atoms and * with Any atoms.





In the future we will add Markush capabilities as well. In that version, atom lists will be handled as generic atoms, and the search will return hits as they were all enumerated.





Other Markush features will include R-groups, link nodes, bond lists. In the first Markush release Any atoms will not be supported, but may be added later.





(Separate licence will be needed for Markush.)





All the best,


Szabolcs