#Script to display sequence of molecules and orbitals #J. Gutow 1-17-2008 message loop; background lightgoldenrodyellow; frank off; set spinX 30; set spinY 30; #load a new molecule load "cl.log.gz" spacefill 1%; #rewrite echo font echo 11; color echo black; set echo top; echo "Chem 105||||Dr. Gutow"; delay 5; #show location of nucleus spacefill 5%; echo "nucleus||||location"; delay 5; #show 2s orbital isosurface sorb mo 2 nomesh fill translucent; spin on; echo "s||||orbital"; delay 15; isosurface sorb off; #show 2p orbital isosurface porb mo 3 nomesh fill translucent; spin on; echo "p||||orbital"; delay 15; isosurface porb off; #show d orbitals isosurface dxy mo 22 nomesh fill translucent; echo "dxy||||orbital"; delay 15; isosurface dxy off; isosurface dz2 mo 18 nomesh fill translucent; echo "dz2||||orbital"; delay 15; isosurface dz2 off; #load a new molecule load "ice.pdb" #rewrite echo font echo 11; color echo black; set echo top; echo "Chem 105||||Dr. Gutow"; delay 5; #spin it spin on; echo "ice||||ball & stick"; delay 15; #show spacefilling spacefill 100%; echo "ice||||spacefilling"; delay 15; #show h-bonds spacefill 65%; echo "ice||||spacefilling"; delay 15; #load a new molecule load "H2O.log.gz"; #rewrite echo #rewrite echo font echo 11; color echo black; set echo top; echo "Chem 105||||Dr. Gutow"; delay 5; echo "water||||ball & stick"; # go to last frame animation on; spin on; delay 15; #show vanderWaals surface spacefill 25%; wireframe 0.10; isosurface solvent1 solvent translucent; echo "water||||surface"; delay 15; #show an HOMO isosurface solvent1 off; isosurface homo mo 5 nomesh fill translucent; echo "water||||an orbital"; delay 15; isosurface homo off; #show LUMO isosurface lumo mo 6 nomesh fill translucent; echo "water||||an orbital"; delay 15; isosurface lumo off; #spacefill spacefill 100%; echo "water||||spacefilling"; delay 15; #load a new molecule goto loop;