Dearomatized jpeg

User 348e44f632

04-09-2007 22:24:48

I tried to generate a jpeg depiction of this molecule:


c1(nc(=S)[nH]c2)ccccc12





using a method similar to your generate_image.jsp example with this format:


format=jpeg:-a,H_hetero





While -a switch forces most other molecules to be displayed in de-aromatized form, this one (and others like it) still show up with aromatic rings.





By the way, MarvinSketch is able to de-aromatize it using Edit/Bonds/Dearomatize menu item. How can i force this structure to export a Kekule jpeg?





I am using 4.1.5 version of Marvin.





Thanks


maya

User f359e526a1

06-09-2007 09:56:02

Could you please update your version, as the script:





$ echo "c1(nc(=S)c2)ccccc12CCCNCC"|molconvert "jpeg:-a,H_hetero" - -o test.jpg





creates the picure below.