Hi, I have an SDF file that has the chemical structure (in MOL), MW and name. Is it possible to use Openbabel to generate a tabe delimited txt file with the Smiles string followed by the Name and MW? The ultimate goal is to put the data in to Excel.
Thanks paul ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
