>> Sorry not to keep up with the literature and to miss the -as option. >> This should mean that >> obabel -:b...@h](F)I -omol | obabel -imol -osmi -as >> should give a chiral SMILES output? >> >> It doesn't, and I can't even find any code for the implementation of >> the option. I hope some purist hasn't edited it out ;-) > > Aha, I think this was maybe some unfinished business for me - the last > thing I did on the stereo before I burnt out. I think the code is in > there to do it - I just need to add an "if" statement. I'll try to > sort this out.
Should be working now. I don't have time to write the tests now (famous last words), but hopefully I can do this tomorrow and all will be well. - Noel ------------------------------------------------------------------------------ Sell apps to millions through the Intel(R) Atom(Tm) Developer Program Be part of this innovative community and reach millions of netbook users worldwide. Take advantage of special opportunities to increase revenue and speed time-to-market. Join now, and jumpstart your future. http://p.sf.net/sfu/intel-atom-d2d _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
