User 8688ffe688
24-11-2014 21:13:08
How do I indicate position variation atom (not bond) using marvin sketch?
User 8688ffe688
24-11-2014 21:13:08
How do I indicate position variation atom (not bond) using marvin sketch?
ChemAxon d4fff15f08
25-11-2014 12:10:13
Hi Matt,
I am sorry to say, but we don't have such a thing as "position variation atom". Did you mean atom list https://docs.chemaxon.com/display/marvinsketch/Atom+List+and+NOT+List
or any atom
https://docs.chemaxon.com/display/marvinsketch/Generic+Query+Atom
Could you describe what would be the functionality expected from "position variation atom"? Maybe we have something similar... ;)
User 8688ffe688
25-11-2014 15:02:15
Please see attachment. I could do a substructure query 3 times drawing out the nitrogen at the ortho, meta and para positions but how would I do this in a single query. Using the atom list in this case would return records where the nitrogen is present more than once (ortho, meta, para).
ChemAxon 9c0afc9aaf
25-11-2014 18:55:52
Hi Matt,
In this specific case you can change the roles and attach the Cl atom with a position variation bond the pyridine ring.
Otherwise (e.g. non-symmetric ring) you may define the changing part (e.g. the ring) as an R-group with 3 possible substituents drawn.
Best regards,
Szilard