Are the files mentioned below on the site? I'd like to try this out.
Miguel wrote:
Jmol prerelease 10.00.42 is now available from http://www.jmol.org/files This release features support for coloring .cub file isosurfaces based upon color mapping from another .cub file. Surface are colored using a red->orange->yellow->green->blue rainbow, where red represents minimum values and blue represents maximum values. If absolute data values are not provided then Jmol will calculate the range based upon the actual data values calculated for the surface points. You need to supply your own cube files, presumably from gaussian or equiv. Example: load "ch3cl-density.cub"; # read in the molecule - old functionality isosurface mySurface 0.0004 "ch3cl-density.cub"; # old functionality isosurface mySurface color "ch3cl-esp.cub"; # new functionality color isosurface translucent; OR, put it all on one line: isosurface mySurface 0.0004 "ch3cl-density.cub" color "ch3cl-esp.cub"; OR, specify your own absolute range for color data values: isosurface color absolute -0.1 0.5 "ch3cl-esp.cub"; Note that the subcommand names 'color' and 'absolute' are subject to change. Thanks to Richard Spinney of Ohio State University (USA) for help on this. It looks pretty cool ... Enjoy! Miguel ------------------------------------------------------- This SF.Net email is sponsored by: Power Architecture Resource Center: Free content, downloads, discussions, and more. http://solutions.newsforge.com/ibmarch.tmpl _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
-- -- Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:[EMAIL PROTECTED] http://www.stolaf.edu/people/hansonr "Imagination is more important than knowledge." - Albert Einstein ------------------------------------------------------- This SF.Net email is sponsored by: Power Architecture Resource Center: Free content, downloads, discussions, and more. http://solutions.newsforge.com/ibmarch.tmpl _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
