On Wed, Nov 18, 2009 at 6:34 PM, Craig A. James <cja...@emolecules.com> wrote: > Tim Vandermeersch wrote: >> >> Hi Craig, >> ... >> The new stereo code doesn't need these extra hydrogens. The added >> hydrogens you are seeing are probably added in >> OBMol2Cansmi::AddHydrogenToChiralCenters (smilesformat.cpp) > > Huh. My own code. I assumed this was a new bug so I guessed it was in the > new stereo code. I assumed it was a new problem, but maybe it's been here > for a while. I'll look into it a bit more...
With the -xh option I see the hydrogen too. But it is added by the smiles format itself. Tim > Thanks, > Craig > ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
