getting SMILES from MarvinSketch

User 870ab5b546

25-11-2014 01:42:26

You say in the user manual,


A structure can be saved either in ChemAxon Marvin Document format or in MDL Molfile V2000 format. In order to export in other file formats (SMILES, ChemAxon Extended SMILES, SMARTS, ChemAxon Extended SMARTS, InChi, InChiKey, Name, CML, MDL Molfile V3000, MDL SDfile, ChemAxon Compressed Molfile, ChemAxon Compressed SDfile, XYZ, CDX, and SKC) the appropriate webservice has to be available.

Do you have some example code that shows how to activate the requisite web service and how to use it to get the molecule from the editor in SMILES format?

User 870ab5b546

25-11-2014 17:22:18

Well, I developed a workaround, using AJAX to call JChem to get the SMILES. So no urgency here, but still, it would be nice to know how to do it. I did find some relevant code in your page on generating a QR code, but I couldn't get it to work in my context.

ChemAxon f052bdfe3c

28-11-2014 09:59:05

You can find an example of getting/setting molecules here: https://marvinjs-demo.chemaxon.com/latest/examples/demo.html


Best regards,


EfiĀ 

User 870ab5b546

29-11-2014 19:13:52

Oh, so it's the same code as for getting MRV. For some reason I thought it was different.