Bob, I’m not completely clear on the details, but inchi has some open ended capability that makes it a variable identifier, thus playing havoc with look-up and keys. The stdinchi does not have this extended usage. Thus stdinchi and stdinchikey are the way to go for most look-up.
Even though it’s weighty, I really like this new feature. With SMILES and stdinchi, Jmol really has a new cheminformatics punch. I’m learning more and more toward having users run the model kit locally, so I want to look into this stdinchi capability. Otis -- Otis Rothenberger o...@chemagic.org http://chemagic.org > On Mar 7, 2016, at 1:44 PM, Robert Hanson <hans...@stolaf.edu> wrote: > > Thanks, Otis -- I forgot that there were two InChI calls for NCI -- "inchi" > and "stdinchi". Changing that makes them identical. > > Bob > ------------------------------------------------------------------------------ > Transform Data into Opportunity. > Accelerate data analysis in your applications with > Intel Data Analytics Acceleration Library. > Click to learn more. > http://makebettercode.com/inteldaal-eval_______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more. http://makebettercode.com/inteldaal-eval _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
