Paul, The thing that surprised me was that the model loaded! I didn't know you could use a molfile in a data load. I guess because the original example in the docs used a XYZ file, I got in my head that you had to use an XYZ file with a data load.
I avoided using the "W" word in my note, but now that you put it on the table... Otis Sent from my iPad > On Sep 14, 2015, at 7:19 AM, Paul PILLOT <paulpil...@gmail.com> wrote: > > Well, it did work… 3 years ago… > I’ve implemented this in a previous page that I haven’t touched for a while. > The migration to HTML5 is now overdue and I wanted to update to the latest > version (and take profit of the speed bump in JS execution). > The workaround you are suggesting indeed works, but the original filter "2D", > was quicker at rendering the model. Maybe a reduced number of minimization > steps was involved ? Or just the fact that the pre minimization state was not > displayed and only the resulting computed model ? > Paul > >> Le 14-09-2015 à 00:58, Otis Rothenberger <osrot...@chemagic.com> a écrit : >> >> Hi Paul, >> >> I played with this for a while. Did Filter “2d” ever work with load data? I >> keep getting jmol script errors if I try to incorporate the filter. I tried >> several locations for insertion. >> >> This alternative gets the job done: >> >> load DATA "model" >> Ethane >> >> http://www.ichemlabs.com >> 2 1 0 0 0 0 999 v2000 >> -0.4330 -0.2500 0.0000 C 0 0 0 0 0 0 >> 0.4330 0.2500 0.0000 C 0 0 0 0 0 0 >> 1 2 1 0 0 0 >> M END "model";calculate hydrogens;minimize >> >> Otis >> >> >> >> -- >> Otis Rothenberger >> o...@chemagic.com >> http://chemagic.com >> >>> On Sep 13, 2015, at 11:26 PM, Paul PILLOT <paulpil...@gmail.com> wrote: >>> >>> Hi Jmolers, >>> I’ve tried with the 2 latest versions of Jmol (14.3.16, 14.2.15) and they >>> both seem broken in respect with this command. >>> >>> Test case : >>> copy and paste the following in Jmol console : >>> >>> load DATA "model" >>> Ethane >>> >>> http://www.ichemlabs.com >>> 2 1 0 0 0 0 999 v2000 >>> -0.4330 -0.2500 0.0000 C 0 0 0 0 0 0 >>> 0.4330 0.2500 0.0000 C 0 0 0 0 0 0 >>> 1 2 1 0 0 0 >>> M END "model" filter "2D" >>> >>> >>> It displays only 2 atoms of carbon instead of adding the required hydrogen >>> and minimizing. >>> >>> -Paul >>> ------------------------------------------------------------------------------ >>> _______________________________________________ >>> 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
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