Get structure values using custom button

We have integrated Marvin sketch in a web page, 'Mass' and 'Dot-disconnected formula' can be viewed for drawn sketch using:

Marvin Sketch -> Tools -> Elemental Analysis (choose “Mass” and “Dot-disconnected Formula”)

But how can we get these values using a custom button, so that when ever user click this button after drawing sketch both above values for sketch can be displayed.

Thanks in advance.

Hi,

Please check the following example implementation. Here the chemical properties are calculated using Chemical Terms, and are updated automatically as you modify the structure:

http://www.chemaxon.com/marvin/examples/applets/sketch/chemicalterms2.html

I hope this helps.

Best regards,

Akos

Thanks Akons

Hi,

Thanks for response on previous post, I wish to get the molecular formula too using code. Is it possible? how can I get it?

Thanks in advance.

Hi,

Please see the available chemical term functions here:

http://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html

A number of formula functions are available among the Elemental Analysis Functions:

- formula()

- dotDisconnectedFormula()

- isotopeFormula()

- dotDisconnectedIsotopeFormula()

Best regards,

Akos