Inport CML and Export SVG with the Marvin Applet

Dear Forum,





I’m currently in the process of developing an e-chemical journal. I want to import the molecular information from a CML file. I would ideally like to render the molecule in 3D and/or 2D for further inspection. I have successfully done this using the open source JMOL applet but I would much prefer to utilise the MARVIN applet. I have managed to import MOL files with great ease but could anyone point me in the right direction for importing CML files???





As a side to this I am interested in displaying the CML information as 2D SVG representation. Can anyone advice on how this could be made possible with the Marvin applet.





Forgive my ignorance on the use of Marvin and I hope someone can help,





Regards





Chris

thorley wrote:

../I have managed to import MOL files with great ease but could anyone point me in the right direction for importing CML files?

Marvin recognizes the format of the input file automatically. Just specify the CML file the same way as the Molfile and it should work.

thorley wrote:

As a side to this I am interested in displaying the CML information as 2D SVG representation. Can anyone advice on how this could be made possible with the Marvin applet

You should use Marvin Beans (instead of Marvin Applets) for generating the SVG file. This is a server-side task, so you will need a servlet server like Tomcat. Use the MolConverter Java class or the MolConverter utility on the server side.


Also, you can modify the example for image generation in the Marvin Beans package.


(Windows path: C:\Program Files\ChemAxon\MarvinBeans\examples\image-generation)


This one uses core classes instead of MolConverter.