The trick to updating the menu is to use the frame command. If you only have one frame, just add this:
frame 0 and the menu will be updated to enable isosurface mapping of MEP Bob frame Reinhold Stoermann wrote: >Hello to all, > >I just joined this list, because I currently try to convert a website >from using the old MDL Chime to jmol. >(jmol 11.2.14). > >The molecules are represented by a bunch of PDB files, where the columns >61-66 usually holding the temperature factor have been filled instead >with partial charges of the atoms which where computed with MOPAC. > >This arrangement made it possible in Chime to generate an isosurface >with a coloring scheme according to the partial charges. > >If I laod the same pdb files in jmol, the menu option > >Surfaces -> Molecular Electrostatic Potential > >is not accessible, and a script using the command > >color atoms temperature > >gives an image of red an blue atom colorings bearing no relation to the >"temperature factors" (which are actually partial charges). Even if I >change some of the these values in the pdb file by hand, this has no >effect on the given coloration of the manipulated atoms. > >Maybe Jmol does not support this trick to visualize molecular >electrostatic potentials from pdb files? > >So if I have to convert the pdb files to some other format, what would >it be? >(I still need the pdb columns for the "residue name" to be conserved in >that other format, because some other coloration scheme depends on that.) > > >Dr. Reinhold Störmann >Bioorganic Chemistry >Center for Environmental Research & Technology (UFT) >Leobener Str. >D-28359 Bremen > > >------------------------------------------------------------------------- >This SF.net email is sponsored by: Microsoft >Defy all challenges. Microsoft(R) Visual Studio 2008. >http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ >_______________________________________________ >Jmol-users mailing list >[email protected] >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: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
