Generating Inchi String

Hi,

Am new to marvin sketch. Can you please tell how I can generate an Inchi String using MarvinSketch.

From the webpage, the action for the button SMILES is onClick="exportMol('smiles') I would like to have something like onClick="exportMol('inchi')".

Can you please tell me how can I achieve this..

 

Thanks in Advance

Hi,

i suggest you to see this applet example. As you can see there is an exportMol(format) javascript function, which shows how to get the molecule from our MarvinSketch applet. You can sepcify 'inchi' string as format to get back the InChI string representation of the molecule.

The function supports all output format with format options, formats and related options are documented in this page.

Best regards,
Istvan

Thanks Istvan, it worked perfect !!