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... 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
