On Mon, Aug 24, 2015 at 9:30 PM, Otis Rothenberger <osrot...@chemagic.com> wrote:
> 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. > > that's fixed. It was very simple > > 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. > > dont kludge. It's fixed > 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 > -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Department of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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