Jmol Demo

  1. 1) Load an example file:
  2. load "mol/methanol.log" ; frame 2
  3.  
  4. ... or browse to load local file:
  5. load "?" ; frame 2
  6.  
  7. 2) Display either Electrostatic Potential or HOMO or LUMO mapped on molecular surface:
  8. isosurface id iso_mep molecular map mep #ESP
  9. isosurface id iso_homo molecular map mo homo
  10. isosurface id iso_lumo molecular map mo lumo
  11.  
  12. 3) Set Isosurface to be tranlucent or opaque:
  13. isosurface translucent 0.99 # translucent
  14. isosurface translucent 0.75
  15. isosurface translucent 0.5
  16. isosurface translucent 0.25
  17. isosurface translucent 0.0 # opaque
  18.  
  19. 4) Download Image:
  20. write PNG "output.png?"
  21. write PNG 1000 1000 "output.png?" # higher resolution
  22.  
  23. Delete Isosurface:
  24. isosurface delete
  25.