Compound Attributes

Hi,

I have a MVC5 application and have implemented Marvin JS to let user draw the structure. I have the below code to get the structure. Any guidance would be appreciated?

Question: How to get the Compound name , Smile, Molecule Formula and other attributes  of the compound with the structure.

MarvinJS and .NET

 

$("#btnvalidate").on("click", function (e) {

            try {

                    marvinSketcherInstance.exportStructure("mrv").then(function (source) {

                        alert(source);

                    }, function (error) {

                        alert("Molecule export failed:" + error);

                    });

                } catch (e) {

                    alert(e);

                }

        });

 

Thanks 

DJ

Hello,

As we  discussed it you need to have JChem for web service to do this. Please let us know how the example code which we sent in email works.

Best regards,

Efi

ehoffmann wrote:

Hello, As we  discussed it you need to have JChem for web service to do this. Please let us know how the example code which we sent in email works. Best regards, Efi

Hi Efi,

I have been working on other priority task. I will get back to you soon. I have think lot of aspects before heading the web service route. Thank you for your email.

I would surely get back to you.

Thanks

Regards

DJ