> Is there any harm in printing SP (and the other point groups) by default? > Are we worried that it will break other SMILES parsers?
That would be my worry. That we'd print SP or TB or whatever, and users would come back and complain it's not valid SMILES using Open Eye or ChemDraw or somesuch. That's why I suggested making it optional. If you'd prefer to recommend the opposite (i.e., it's an option to turn it off), I'm open to opinions. >> And I'd start with 2.3.0 only giving SP stereo if 3D coordinates are present. > ... or if the input was SMILES with SP specified! Exactly. -Geoff ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
