Hello François > We use CML/.mol2 files to display charge values in different web sites. > See for instance: http://q4md-forcefieldtools.org/REDDB/
Right now I cannot se any models in that page due to a Java security lock. (It may be my system, these problems are more frequent lately with new versions of Java). Anyway, > I checked and in "Style/Labels", we can display three labels so far. > with Elements Symbol > Atom Name > Atom Number > > Is it possible to add the "atom charge" and "force field atom type" as > new labels ? (I thought this was done from the discussion in the AMBER > mailing list. Did I miss something ?) The menu choices are very restricted, giving only the most common options, but yes you can get atom charge either using the console or a script within the webpage: label %P (that is for partial charge; formal charge is %C but I gues that's not what you need) The FF atom type can be displayed in a label using the recently added label %B In addition, if you want those to be in the pop-up menu, you can create and load a custom pop-up menu for your applets. See http://wiki.jmol.org:81/index.php/Custom_Menus ------------------------------------------------------------------------- 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 [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
