If I understand Bob correctly, he’s looking for Jmol readable files. I’m not aware of any such open file databases either.
While working of his web text at the University of Southern Maine, Tom Newton used SPARTAN to create about 100 .spartan files for the text. I’m betting that there are a lot of other instructors with self made collections. I’m not sure how you put out the call to collect/curate these things - Delmar @ ChemWiki (cc)? At the time, Tom contacted WaveFunction to check restrictions on using these SPARTAN created files on the web. Their response was that while they hoped we would site them, there was no restriction. For old CheMagic server limitations, I used Jmol to convert the .spartan files to text files. I guess that collected files might be a mixed bag of binary and text. Jmol correctly reads either. Otis -- Otis Rothenberger o...@chemagic.org http://chemagic.org > On Aug 24, 2016, at 10:39 AM, Jennifer L. Muzyka <jennifer.muz...@centre.edu> > wrote: > > iSpartan has something like that built into their app rather than calculating > things on the fly. I’m not aware of any other database that has the > information you’re looking for, Bob. > Jennifer > > > > Jennifer Muzyka > H.W. Stodghill Jr. and Adele H. Stodghill Professor of Chemistry > Centre College > 600 West Walnut Street > Danville, KY 40422 > > jennifer.muz...@centre.edu <mailto:jennifer.muz...@centre.edu> > http://web.centre.edu/muzyka <http://web.centre.edu/muzyka> > http://organicers.org <http://organicers.org/> > > 859-238-5413 > fax 859-236-7925 > > > > > > >> On Aug 24, 2016, at 10:34 AM, Robert Hanson <hans...@stolaf.edu >> <mailto:hans...@stolaf.edu>> wrote: >> >> I mean a database of common organic compounds, with molecular orbitals. >> Spartan files or Gaussian output -- that sort of thing. >> >> ------------------------------------------------------------------------------ >> _______________________________________________ >> Jmol-users mailing list >> Jmol-users@lists.sourceforge.net <mailto:Jmol-users@lists.sourceforge.net> >> https://lists.sourceforge.net/lists/listinfo/jmol-users > > ------------------------------------------------------------------------------ > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users
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