molconvert to generate inchi strings

can molconvert be used to append an inchi string field and generate inchi strings for corresponding structures in an sdf file? i.e the input file is an sdf file the output file is the same sdf file but with inchi strings added as an additional field?





If not is there a script available to acheive this.

Hi,

Quote:

can molconvert be used to append an inchi string field and generate inchi strings for corresponding structures in an sdf file? i.e the input file is an sdf file the output file is the same sdf file but with inchi strings added as an additional field?

Please see my reply for the other topic how can you do that in the latest test version of JChem:





http://www.chemaxon.com/forum/ftopic1682.html





The cxcalc utility will also be able to add such fields in the future, so a Marvin-only license will also allow this functionality.





Best regards,





Szilard