On Tue, Feb 17, 2009 at 11:17 AM, Noel O'Boyle <baoille...@gmail.com> wrote: > 2009/2/17 Andrew Dalke <da...@dalkescientific.com>: >> On Feb 17, 2009, at 9:18 AM, George Oakman wrote: >>> Does someone know if I can assume that the canonical SMILES of >>> RDKit are the same as the Open Babel ones? > > You can assume they are not the same. No attempt has been made to make > them consistent.
Correct, it wold require an extremely long series of coincidences to end up with two canonical smiles implementations that produce identical output. >> >>> Am I doing something wrong in responding to the mailing list, it >>> looks like all my answers are logged as a separate message as >>> oposed to being logged in the same thread - please let me know, I >>> don't want to make it all untidy! >> >> I don't use a threaded mail reader so I can't tell. > I use Gmail and everything is nicely threaded. ditto: things look fine in gmail. -greg
