Subject: Re: CCL:SMILE to table

From: Ferenc Csizmadia <fcsiz*at*chemaxon.com>
Date: Thu, 20 Jan 2005 23:55:11 +0100

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