Bob, In the world of my small molecule app, I only found these two problems with the new JSmol:
1) The calculate partial charge - MEP special case for alkanes is an easy kludge fix per my previous note. This alkane effect was not present in the older JSmol I was using. 2) The compare methane special case is also an easy kludge fix. This was present in the older JSmol. I just missed it because it did not bring up an alert box. The new JSmol version brings up a lengthy JavaScript alert box if you try to compare two methanes. kludge is to test for two things before compare. Test for 2 models AND "carbon and connected(4,hydrogen)}.length” being equal to 2. Kludge is used here so that I don’t have to use that other term that you don’t like. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com > On Aug 24, 2015, at 8:06 PM, Otis Rothenberger <osrot...@chemagic.com> wrote: > > Bob, > > I should have tested further. It appears that compare is only failing on > methane/methane. I guess that I never compared methane to methane before. > Once either model is not methane, compare seems to be OK. > > Otis > -- > Otis Rothenberger > o...@chemagic.com > http://chemagic.com > >> On Aug 24, 2015, at 1:41 PM, Rolf Huehne <rhue...@fli-leibniz.de> wrote: >> >> On 08/24/2015 07:33 PM, Robert Hanson wrote: >>> I'll upload a new version and see if that fixes it. I can't tell from this >>> exactly what is going on. Maybe a JS file caching issue? Rolf, you might >>> also make sure your cache is fully cleared. >>> >> Caching shouldn't be a problem with the 'Jena3D Viewer' because each >> Jmol version gets its own directory on the server within the URL. >> >> Regards, >> Rolf >> >> -- >> >> Rolf Huehne >> Postdoc >> >> Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI) >> Beutenbergstrasse 11 >> 07745 Jena, Germany >> >> Phone: +49 3641 65 6205 >> Fax: +49 3641 65 6210 >> E-Mail: rhue...@fli-leibniz.de >> Website: http://www.fli-leibniz.de >> >> Scientific Director: Prof. Dr. K. Lenhard Rudolph >> Head of Administration: Dr. Daniele Barthel >> Chairman of Board of Trustees: Dennys Klein >> >> VAT No: DE 153 925 464 >> Register of Associations: No. 230296, Amtsgericht Jena >> Tax Number: 162/141/08228 >> >> >> ------------------------------------------------------------------------------ >> _______________________________________________ >> Jmol-users mailing list >> 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 > > ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
