Predict NMR and depict the spectrum to client's browser

Hi, I use Marvin JS transferring molfile to my jchem server and use cxcalc or the class NMRCalculator to calculate the molecule's NMR. how can I depict the spectrum on the client's browser? I reviewed the Java code example, but failed to find the detail, except a segment as following:

... ...
// exporting the NMR spectrum into JCAMP-DX format
String jcamp = NMRExporter.exportToJcampDX(spectrum);

// exporting the NMR spectrum into Molecule with an NMR property
String propertyName = "1H NMR shifts";

Molecule molWithNMR = NMRExporter.exportToMol(spectrum, propertyName);

or:

double[][] xy = NMRExporter.export(spectrum, domainMin, domainMax, resolution);

I didn't find a class with NMRExporter. Is there a rendering API for JDX format? or need I customize the image on client's browser with X/Y myself?

Thanks.

ctsun

Dear Chuantao,

The API documentation of NMRExporter class is not public. This is a 'bug', we will fix it next week.
 

Is there a rendering API for JDX format? or need I customize the image on client's browser with X/Y myself?

No, there is not. Currently the software supports only JDX export from the NMRSpectrum class.

Best regards,
Laszlo 

Thanks Laszlo,

Now I can read the API doc on the class NMRExporter. Are there existing codes that can render the NMR picture with X/Y coordinates or JDX file at client's Web browser for interaction? If no, I have to develop the code myself.

Chuantao

Dear Chuantao,

No there is not unfortunately. If you would like to use the mentioned functionality you have to develope it.

Best regards,
Laszlo