Hi Tom > After looking through the various menus, I couldn't figure out how to > display the partial charge information. > I'm using jmol version 11.8.7.
You must use commands, not the menu. > Are the partial charges supposed to show up as color variations or as > numeric labels next to the atoms? As labels: /index.htm#label label %P As color: /index.htm#coloratomobject /index.htm#color (and scroll down to [color, property, or color scheme] ) This is more tricky, but for example: color partialcharge color atoms property partialcharge color atoms property partialcharge "rwb" range -1 1 color atoms property partialcharge "roygb" range 0 10 (BTW, I found those by searching for "partialcharge" in the scripting doc) You can also create a molecular surface and color it using "map mep" which will map the surface according to Molecular Electrostatic Potential, calculated from the partial charges. ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
