I meant I didn’t* see anyone that couldn’t do it On 3 December 2013 23:36, Yoel <yoe...@gmail.com> wrote: > Indeed it is hard but I have to STRONGLY disagree that we chemists > assign R and S configuration in any other way that by applying the CIP > rules… and for those molecules that are more complex we usually take > more time. Neither during my PhD years or my postgrad years I saw any > organic chemist that couldn’t do it! > > On 3 December 2013 23:29, Geoff Hutchison [via Open Babel] > <ml-node+s957263n4657002...@n4.nabble.com> wrote: >>> 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 >> [hidden email] >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> >> >> ________________________________ >> If you reply to this email, your message will be added to the discussion >> below: >> http://forums.openbabel.org/stereo-config-question-tp4656879p4657002.html >> To unsubscribe from stereo config question, click here. >> NAML
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