On 9/22/10 8:27 AM, Geoffrey Hutchison wrote: > IMHO, since very little software handles SP stereo information, it should > be enabled as an option to output with SMILES or canonical SMILES.
Is there any harm in printing SP (and the other point groups) by default? Are we worried that it will break other SMILES parsers? > 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! Craig ------------------------------------------------------------------------------ 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
