Hi, I don't see how to convert smiles to inchikey in the command line. Could anybody show me how to do the conversion with openbabel? Thanks.
https://openbabel.org/docs/dev/Command-line_tools/babel.html -- Regards, Peng _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss