Re: CCL:SMILE to table

[Ferenc Csizmadia <fcsiz*at*chemaxon.com>]

 Nicolas,
> I am looking for a freeware software to translate a
>  text file
>  containing lines with SMILES strings + name of the compounds in a
>  table (HTML, GIF... or a simple view I can print out) with the 2D
>  drawing AND the name of the compounds. mview from Jchem seems to only
>  give me the 2D drawings...
>  
 MarvinView (mview) can do what you want! You have 2 choices:
 - Select the Table >> Show fields menu option
 - mview -f field_0 input.smiles
See command-line options at
 http://www.chemaxon.com/marvin/doc/user/mview.html
If you want more freedom, you can combine MolConverter and MarvinView.
 For example displaying the structures in 3D and showing their names:
 molconvert mrv -3 1.smi | mview -f field_0 -
MolConverter and MarvinSketch are free (if not used in an application
 or
 if you are an academic user) and portable just like MarvinView. (They
 are included in both Marvin Beans and JChem)
 http://www.chemaxon.com/marvin/doc/user/molconvert.html
 http://www.chemaxon.com/marvin/doc/user/msketch.html
 Best regards,
 Ferenc
 --
 Dr. Ferenc Csizmadia
 ChemAxon Ltd.
 http://www.chemaxon.com