I have been using jmol-14.2.9_2014.11.23 to make electrostatic potential maps. [See: http://ursula.chem.yale.edu/~chem220/chem220js/StudyAids.html#ESP]
I use Gaussian to generate cube files. I open jmol.jar>console and type: $ isosurface cutoff 0.02 filename_den.cub map filename_esp.cub $ write isosurface filename.jvxl All is well. I downloaded jmol-14.6.4_2016.10.02 The console does not appear to work properly. If the line $ isosurface cutoff 0.02 filename_den.cub map filename_esp.cub is added, blue text appears with cutoff 0.0. Typing $ write isosurface filename.jvxl gives only a return of the prompt $. No jvxl file is written. Multiple entries do not work. Jmol.jar must be closed and reopened to make an entry. Still no positive result. I have taken jmol.jar from jmol-14.2.9_2014.11.23 and put it in jmol-14.6.4_2016.10.02. It works but places the file in the former Jmol folder. I can redirect the jvxl file with write isosurface /Users/…/filename.jvxl. But this not an advantage. Is there a problem with jmol.jar in mol-14.6.4_2016.10.02? Thanks for your help, Fred Ziegler ------------------------------------------------------------------------------ The Command Line: Reinvented for Modern Developers Did the resurgence of CLI tooling catch you by surprise? Reconnect with the command line and become more productive. Learn the new .NET and ASP.NET CLI. Get your free copy! http://sdm.link/telerik _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
