position variable atom

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