which format of structure is compatible to Chemdraw(cdxml)

Hi, We are transfering some data including structure about reaction and single compound from Jchem system to Chemdraw system, but we found no exporting function from Jchem system to cdxml was provided by far, could you recommend some other structure format which has a better compatibility with cdxml? Do you have a plan to develop the export function to cdxml in the coming future?

Hi,

 

You can find the available formats here using API:

http://www.chemaxon.com/jchem/doc/dev/java/api/chemaxon/jchem/db/Exporter.html#setFormat%28int%29

and here - using jchem manager:

http://www.chemaxon.com/jchem/doc/admin/#export

Unfortunatelly we cannot give you information about the compatibility of the ChemDraw system with other file formats.

We will notify you when cdxml export implementation is scheduled. 

Bye,

Robert

Please note that we also support cdx export, it is just not supported in all applications / API directly yet.

You can export to mrv (Marvin Documents) and use MolCoinverter (molconvert) in command-line to convert:

http://www.chemaxon.com/marvin/help/applications/molconvert.html

Or you can use the Molexporter class if dealing with Molecule objects.

The whole range of supported file formats can be found here:

http://www.chemaxon.com/marvin/help/formats/formats.html

Best regards,

Szilard

Appreciating your prompt reply, we will research as your suggestion,

we used the commandline"molconvert cdxml a.mrv -o a.cdxml", but returned the word like "Cannot export in "cdxml" format"(the version 5.11.4); we also tried another method like "MDocument.exportToFormat("cdxml")" in Java and failed.

Could you give us a example for learning? Than you very much

 

 

Hi,

We currently do not support the CDXML (text) format for export.

I have mentioned above that we already support the export of the CDX (binary) ChemDraw format.

Best regards,

Szilard