Default KEKULE FORM Need to set in MVIEW and MarvinSketch

Hi,

We able to set the default view of the marvin viewer to display benzene ring in Kekule form?

Will this form conversion be neglected for compounds which do not have benzene in their structure?

Please help regarding this.

Regards

Siva

Hi Siva,

Yes. You can. From API

MViewPane.getMol(cellIndex).aromatize(); // to convert to aromatic form.
MViewPane.getMol(cellIndex).dearomatize(); // to convert to kekule form.

You can find the related documentation here: http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/struc/MoleculeGraph.html#aromatize()

and

http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/struc/MoleculeGraph.html#dearomatize()

On the GUI, you can set it on the menu: Structure>Aromatic form>Conver To Kekule form.

"Will this form conversion be neglected for compounds which do not have benzene in their structure?"

 If the structure contains aromatic part (even if it is not a benzene ring), e.g., a Pyrrole ring (c1cc[nH]c1); it will be converted into Kekule form (N1C=CC=C1) as well.

Best Regards,

Efi