How to convert mol to SMILES? Thanks.

Hi,

I want to convert the mol format to SMILES. 

my code in JSP file:

 

String mysmiles= MolExporter.exportToFormat(molfile, "smiles");

but I get an error:

org.apache.jasper.JasperException: Unable to compile class for JSP: 



An error occurred at line: 76 in the jsp file: /cmp_str_result.jsp

MolExporter cannot be resolved






And, how to convert SMILES to mol format? Thanks.

Can you help me? Thanks in advance.

Hi wucy,

The error you get is not a ChemAxon specific error, therefore we can not give you support in it. Though it seems like you've not mentioned the chemaxon sources on the classpath or have not referenced correctly the MolExporter class while compiling the code. Otherwise it seems correct and should work.
The opposite conversion aka convert to mol format is almost the same as to convert to smiles:
MolExporter.exportToFormat(molecule, "mol").

Regards,
Domi