Thank you, Bob. This tool is useful in anticipation of the demise of java-heavy WebMO.
Any plans to add this kind of functionality to the applet? I’m not making a feature request, just curious. Matt On Jun 10, 2015, at 2:47 AM, Robert Hanson <hans...@stolaf.edu<mailto:hans...@stolaf.edu>> wrote: yes, very simple. See http://chemapps.stolaf.edu/jmol/zip/Jmol.jar On Tue, Jun 9, 2015 at 5:41 PM, Kubasik, Matt <mkuba...@fairfield.edu<mailto:mkuba...@fairfield.edu>> wrote: Dear Bob, Sometime between 14.1.14 and 14.2.14, the application's Gaussian export tool broke. I think the break may correspond with moving the writing of Gaussian input files from File>Export>Guassian... to Tools>Gaussian. The newer version of the Jmol app fails to enter the element symbol on the molecular specification lines specifying symbol and cartesian coordinates. (See below for a comparison of old and new). Should be an easy fix, I think. Matt Kubasik The older versions of Jmol provided: # HF/3-21G** opt Title: Created by Jmol version 14.1.14_2014.04.14 2014-04-14 18:33 0 1 C -3.67066 -2.99556 -0.12826 C -4.72502 -2.81040 0.76260 C -5.57435 -1.71338 0.61745 . . . While newer version provides: # HF/3-21G** opt Title: Created by Jmol version 14.2.14_2015.06.01 2015-06-01 19:39 0 1 4.65903 2.67886 0.11173 5.71958 2.71145 -0.79054 6.38755 1.53364 -1.12385 . . . ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net<mailto: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 ------------------------------------------------------------------------------ _______________________________________________ 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
