Dear all, I'm looking for a way to convert a series of .mol/.cdxml files into SMILES to add as a column in a .csv file (I can do it with openbabel GUI easy) but it would very helpful if I could also append molecular formula and molecular weight to SMILES format list aside from the filename tile Is it possible ?
I only use the GUI... Thank you -- View this message in context: http://forums.openbabel.org/Append-molecular-formula-and-molecular-weight-to-SMILES-format-list-tp4660194.html Sent from the openbabel-devel mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
