MolPrinter orientation dependent display issue

User e951339c43

03-06-2013 15:15:39

Hello,


 


Using MarvinSketch v5.9.1, I drew the acetamide structure in two different orientations (see attached). When I render the structures with MolPrinter, in one of the orietations the hetero atoms display properly, but not in the other. I have tried switching between MolPrinter and MolPainter, and the behavior is the same regardless of the renderer. Could someone please help take a look?


 


Thanks,


Ning Yu

User e951339c43

07-06-2013 01:10:25

UPDATE: it turns out the second line of test4.sdf (with hetero atoms missing) is as follows:


 


Mrv0541 06031310363D


 


Notice the last two characters indicate the structure is in 3D, which is why MolPrinter does not display the hetero atoms. Now the follow on question: is there a setting I can change to force MolPrinter to render it as a 2D structure?

ChemAxon f052bdfe3c

07-06-2013 16:11:56

Unfortunately, there is not any setting to force MolPrinter to render it as a 2D. However, you can clean your molecule in 2D before painting and it gives you the same results.


You can find the related documentation here,


http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/calculations/clean/Cleaner.html.


Best regards,


Efi