cc Jmol-users as a general problem: Problem: MEP of anions appear all one color (probably red). or: How to get a surface-mapped MEP isosurface to color differently.
You have to experiment. First from the popup console: load whatever.smol #loads the model; isosurface delete surface1 solvent mep #displays the MEP; show isosurface #displays the JVXL data in the console I realize this format is cryptic. Maybe I can add comments to that. Look for the following in that file: # isosurface delete solvent mep 0.0 2464 3136 3136 -0.06992793 0.060803317 -0.05 0.05 The fifth and sixth numbers, -0.0699.. and 0.0608..., are telling you the range of values present in the model.. The -0.05 and 0.05 are telling you the range being used for red-to-blue. These shown are the default values. To change the coloring so that red-blue spans 0.0 to 0.3, for instance, change your command to isosurface delete surface1 solvent color absolute 0.0 0.3 mep; I debated setting defaults that would change with the range of values in the electrostatic model, but in the end I left it with defaults. The problem was that when you displayed an anion it had a coloration that didn't seem appropriate. Bob Nick Greeves wrote: > Bob, > > I've > consulted > http://www.stolaf.edu/academics/chemapps/jmol/docs/?ver=11.0#isosurface > but can't get it to work. I assume the command is *COLOR > ABSOLUTE** but none of the values I tried seemed to change the contours.* ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
