Hi, I want to convert some very large sdf files to SMILES. I know that some structures will fail to convert.
Is it possible to do the conversion creating two files, one containing the valid SMILES and another file containing the records that failed to convert? Either as a sdf file or simply a text file containing the title of molecules. Cheers Chris _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
