Reichsman Frieda wrote: >Hi All, >In response to the command above, Jmol comes back with this for Asp: >color range -0.6478 0.2751; mapped data range -0.26758346 to 0.03863874 > > > Frieda, if you are mapping MEP data, remember that a MEP calculation is being done that converts charge on atoms to potential at some distance (on the surface) from a bunch of atoms, collectively. This value falls off with distance. So that's probably why your numbers are low. They aren't just charges, and really they are just approximations of electron potential, as well. If you want to map the charges themselves, you will need to use "map property partialcharge". But that will look somewhat blotchy, I suspsect.
I'm sure you have the color range/absolute business correct. Bob >Am I misunderstanding what "color range/absolute x.xxx y.yyy" should >be doing? Is there a way to get the coloring for "color range all" but >only show the surface for the side chains? > >Frieda > > >////////////////////////////////////// > >Frieda Reichsman, PhD >Molecules in Motion >Interactive Molecular Structures >http://www.moleculesinmotion.com >413-253-2405 > >////////////////////////////////////// > > > > > >------------------------------------------------------------------------- >This SF.Net email is sponsored by the Moblin Your Move Developer's challenge >Build the coolest Linux based applications with Moblin SDK & win great prizes >Grand prize is a trip for two to an Open Source event anywhere in the world >http://moblin-contest.org/redirect.php?banner_id=100&url=/ >_______________________________________________ >Jmol-users mailing list >Jmol-users@lists.sourceforge.net >https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- 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 the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
