right -- we have several options now:
1) PDB file with data in the "temperature" field.
2) several file formats supporting "charge" (doesn't have to really be
charge, of course)
3) read the data for ALL atoms into a variable and use that to map a surface
4) read the data for SELECTED atoms into a variable, use that to create
a "property"
using the DATA command, then use that for the isosurface. The DATA
command
allows you to preselect only the atoms that the actual data
pertains to.
Bob
Angel Herraez wrote:
>Hi Samuel
>
>Tricky business, but very satisfying.
>Basically, what you need is "isosurface"
>http://www.stolaf.edu/academics/chemapps/jmol/docs/?ver=11.1#isosurface
>
>Look particularly for the options "colorscheme", "map" --I'm still not
>proficient
>on those.
>The rest depends on what is the format of your "external file".
>
>
>
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