On 2013-12-03 22:28, Geoffrey Hutchison wrote: > 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.
Painful or not, RDKit has CIP. From software dependencies POV I'd prefer to not have to use 2 different kits, but until you guys convince your peers CIP is sooo last century and everybody changes their data models, I'll take what works. OE has it too, apparently, but they won't let me check their code out because I'm in .edu and not a PI. (Plus we're a public database, they seem to have an issue with those.) Dima ------------------------------------------------------------------------------ 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
