> inevitable will come down to applying the CIP rules. Do you disagree with > that?
No, I disagree. Yes, there are implementations of the CIP rules in code. Generally these are used when generating IUPAC names, and that's about it. If I take a structure to a colleague to synthesize, I only need a 2D or 3D depiction of the stereochemistry. Heck, if I asked any of my organic colleagues, they'd be hard pressed to apply CIP rules to anything mildly complicated. If someone submits to JACS or JOC or similar publications and requires an IUPAC name, then it's generated. For day-to-day transmission of stereochemical information, it's simply not needed. Go look at PubChem. How many of those compounds have CIP designations assigned? The same could be said for most chemical databases. Craig's point is not that CIP is impossible, but rather from a practical implementation side, it's easier to use other local stereo designations. I might be wrong, but the codes that I can think of with CIP implementations are all commercial, and as part of structure -> name features. Both CIP and IUPAC name generation are really painful. Cheers, -Geoff ------------------------------------------------------------------------------ Sponsored by Intel(R) XDK Develop, test and display web and hybrid apps with a single code base. Download it for free now! http://pubads.g.doubleclick.net/gampad/clk?id=111408631&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
