Difficulties with Selection/Properties

1) How do I run an elemental analysis on a salt? The scroll list separates the cation and the anion. I initially tried selecting the entire molecule and clicking on the calculator, but Marvinsketch ignores my selection and gives me a full list of each structure on the page anyway. I tried making a 'group' to define the molecule, but the Marvinsketch calculator ignores that as well. More simply, how can I get Marvinsketch to run calculations on "all & only" what I've highlighted?

2) Will Marvinsketch have a way to paste properties from the calculator? Currently I have to manually copy/paste.

 

Thank you,

Ryan

Hi Ryan,

1/ Presently, there is no "all & only" selection logic built into the elemental analysis plugin.

For calculating salts, you can switch on and off the "Single Fragment Mode" with a checkbox. With this feature one can summing up the masses of each components. If you check to on the single fragment mode, all fragments are calculated separately.

2/ The results can be copied directly from the result window, and then can be pasted to any other application, including Marvin Textbox. There is no automatic way at the moment.

Best Regards,

Miklos