Jmol users --- Jmol 11.2.10 and Jmol 11.3.13 have been released. Jmol 11.2.10 includes a short list of bug fixes:
# bug fix: zoomTo 100% # bug fix: set language fr needs quotes but should not # bug fix: Jaguar 6.5 reader for frequencies # bug fix: multiple strings read inline causes null pointer exception Jmol 11.3.13 introduces new features in the area of web page making (for the Jmol application, specifically) and color schemes. The color scheme fetaures are described in http://chemapps.stolaf.edu/jmol/docs/?ver=11.4. If someone would like to write a JavaScript function for Jmol.js that creates a color key, that would be great. Something like: jmolShowKey([left,top,size],"schemeName",[min,max],[array of values]) that would be great. Various items there could be optional, perhaps. This will be an interesting challenge! # new feature: APPLICATION: File|Export...|Export to Web Page This feature allows very quick production of Jmol web page "templates" based on the current state of the model. John Gutow is developing this. See http://jmol.svn.sourceforge.net/viewvc/*checkout*/jmol/trunk/Jmol/src/org/openscience/jmol/app/webexport/pop_in_instructions.html and http://jmol.svn.sourceforge.net/viewvc/*checkout*/jmol/trunk/Jmol/src/org/openscience/jmol/app/webexport/script_button_instructions.html # new feature: x.color where x is a number delivers the # color associated with a given value in the current # coloring or propertyColorScheme. select atomno=3;color yellow x = {atomno=3}.color # gives {255.0, 255.0, 0.0} # new feature: .color for {r g b} points delivers the # {x y z}.color as a hexadecimal string [xRRGGBB] x = {atomno=3}.color.color # gives "[xffff00]" x = {255 160 0}.color # gives "[xffa000]" background @x # sets the background to this color # new feature: color ["schemeName"] RANGE [min] [max] # allows setting of color range and scheme so that color # values can be determined. color "roygb" RANGE -1.0 1.0 x = (-0.3).color set echo key_03 100 100;echo " " color echo @x;background echo @x # a color key bar # new feature: show colorscheme "schemeName" # delivers "colorscheme = " followed by a string of color values. # without the scheme name, returns the current colorscheme listing For example: show colorscheme "low" delivers: colorscheme = [xff0000] [xff2000] [xff4000] [xff6000] [xff8000] \ [xffa000] [xffc000] [xffe000] [xfff000] [xffff00] [xf0f000] Setting an array variable to the color values, you can select out any of these: list = script("show colorscheme \"low\"")[15][0].split(" ") #[15][0] extracts the information starting with the first [ x = list[1] #first x = list[0] #last # new feature: set userColorScheme [list of color names] # creates a colorscheme referred to as "user" and its reverse, "resu" # based on a list of color values. set userColorScheme red green [x00FFFF] blue color atoms property partialcharge "user" range -1.0 1.0 -- Robert M. Hanson Professor 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 ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
