Representation of aromatized rings

User a5060dd75b

17-09-2004 15:56:52

I have a question about how aromatized rings are represented in marvin sketch and draw. Sometimes the are shown with a circle in the middle and other times they are shown with a dashed like around the inside edge of the ring. Additionally, I have seen the representation switch from the dashed like to a circle in the viewing applet after I manipulated the structure in some way.





Why is this difference present?





How can we get it to always show one or the other (we would prefer the circle)?





Any information on this topic would help us.





Thanks,


Al

ChemAxon 43e6884a7a

17-09-2004 17:09:34

If the input structure is aromatized, then the aromatized format will be shown, otherwise the Kekule format.





You can aromatize the structure before display using several ways (click on the links):

User a5060dd75b

17-09-2004 18:24:36

Hmm, not exactly what I meant. I'm attaching a couple of images to clarify.

ChemAxon 43e6884a7a

17-09-2004 19:24:13

Sorry, I didn't read your letter carefully.


It seems that the structure with dotted lines is 3 dimensional. Only 2D structures are shown with circles.


Check the coordinates. The values at the z axis should all be zero.

User a5060dd75b

17-09-2004 19:49:38

Yes, it looks like that fixes it. We had the "rotate in 3D" option selected. When we set that to "rotate" it changes to circles. We just need to select the proper setting in the applet. Thanks for your help.