Request for SMILES tool inside MarvinSketch

Hi,

now I have also a request: It would be fine to have the possibilty to see the SMILES code inside MarvinSketch. While developing lists of compounds I often need besides the stoichiometric formula also the SMILES code of the molecule on the canvas. The only way I know is to save the molecule in an *.smi file and then to read this with an editor.

In the Online Tryout of MarvinSketch there is the possibilty to select the chemical expression SMILES and there you see the SMILES code immediately.

My suggestion is to implement one button more in the tool "Naming".

Regards, Hans-Ulrich

Hi Hans-Ulrich,

I don't think it is a good idea, because SMILES is not a name. You can use the Edit > Source dialog to generate the SMILES if you want to just quickly check it. In addition, if you want to display the SMILES on the canvas, you can use the Edit > Copy As Smiles (Ctrl+L) option, and then paste the SMILES into a textbox.

In the future (in version 5.4 or 5.5), we plan to implement a functionality in MarvinSketch, that enables to place any Chemical Terms expression on the canvas, probably in a customizable table form.

Best regards,

Akos

Hi Akos,

OK. I will delete my image in the first post here.

And thank you for the hints.

Regards, Hans-Ulrich