molconvert cml to smiles

Hi,





I just downloaded Marvinbeans and tried to run molconvert to create (unique) smiles strings.


Could you tell me why molconverts reports "no structures found" on the attached cml file?





thanks and greetings





hens

The problem is the <list> tag in your CML. Marvin does not support this tag.


http://www.chemaxon.com/marvin/doc/user/cml-doc.html


How you generated this cml file?


I have attached the fixed cml file.

Hi Tamas,





Thanks for your reply and solution.


In fact I started with a cml file that simply opened with <cml> <molecule> (which didn't seem to work either), and had included later the <list> tag, which we use in a script that generates multiple structures in one file.


Anyway, I now know where to look.





Regards,





hens