That is really a good catch! I found it. It has to do with an attempt I made to make JSmol totally asynchronous. The problem occurs if, in the initiation of the minimization after loading, it is discovered that a file is needed. JSmol would then have to go back and save its processing state, get the file asynchronously, and then re-run that load command. It's an interesting problem; I started working on it and then did not finish that. I will now.
Bob On Mon, Sep 14, 2015 at 7:03 AM, CheMagic <osrot...@chemagic.com> wrote: > 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 <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 > > > > ------------------------------------------------------------------------------ > > _______________________________________________ > 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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