Few Questions

Hi,

I'm unable to find the code examples to do the following: 

1. Read molecular value(smile) from the editor. Similar to
MarvinSketch call  document.MSketch.getMol('cxsmiles:u')

2. Clear/set empty the value in the sketch canvas. Similar to MarvinSketch call document.MSketch.setMol("")

Thanks

Hi Igor,

1. Marvin for Javascript uses the webservice component for formats other than MOL and MRV. To get the SMILES code, you need to do something like this:

var mrv = marvin.sketch.exportAsMrv();

$.ajax({

	url: webservicesBaseUrl + '/rest-v0/util/calculate/stringMolExport',

	type: 'POST',

	contentType: 'application/json',

	data: JSON.stringify({

    		parameters: 'smiles',

		structure: mrv

	})

}).done(function(data) {

	var smiles = data;

}).fail(function() {

	//converting failed

});

2. It's pretty much the same in Marvin for JavaScript, only the function name is different. Though currently you get an error if you try to set "", so as a workaround I recommend an empty MRV document like so:

marvin.sketch.importAsMrv("<cml/>");

Andras

var mrv = marvin.sketch.exportAsMrv();

$.ajax({

	url: webservicesBaseUrl + '/rest-v0/util/calculate/stringMolExport',

	type: 'POST',

	contentType: 'application/json',

	data: JSON.stringify({

    		parameters: 'smiles',

		structure: mrv

	})

}).done(function(data) {

	var smiles = data;

}).fail(function() {

	//converting failed

});

Hi Andras,

Corrrect me if i'm wrong, but in order to do #1, this has to be done frst: http://www.chemaxon.com/webservices/adminGuide.html#installation ?

Your solution for #2 seems to be working

Thanks

Hi Igor!

Actually, you need the new web services package, which can be downloaded from here, and its install guide is on this page as well:

http://www.chemaxon.com/download/marvin/for-javascript/

Andras