# Open bound and unbound conformations. open 2gha-chain-A.pdb open 2ghb-chain-A.pdb # Show ribbons and ligand. preset apply int 1 # Create morph #1 -> #0 as #2. open morph.py # Hide unbound model, bound state ribbon, and show just ligand atoms. ~modeldisplay #1 ~ribbon #0 show ligand # Show morph in bound state, last frame. open lastframe.py # Show residues of morph near ligand. show #2 & ligand zr<5 # Return morph to unbound state, first frame. open firstframe.py # Color background, morph ribbon, and ligand. set bg_color gray ribcolor white #2 modelcolor yellow ligand # Ligand in ball and stick style. repr bs ligand # Turn on silhouette edges. open silhouette.py # Increase subdivision quality to 5 for smoother ribbon, atoms, bonds. open quality.py # Name full view position savepos closeview # Zoom out, move molecule to corner, name position. scale 0.7 move x -20 move y -10 savepos wideview # Move ligand away and rotate it some, name position. ~select 2 move x 60 move y 40 turn z 90 turn x 90 select 2 savepos farligand # Add caption. 2dlabel create title text "Binding maltotriose" xpos 0.3 ypos 0.92 color black # Start recording movie record # Play movie sequence reset wideview 50 wait 50 reset closeview 25 wait 25 2dlabel change title visibility hide frames 25 wait 25 # Play morph open playmorph.py wait 25 # Show hydrogen bonds scale 1.03 25 wait hbond intermodel true intramodel false color pink linewidth 5 roll y 0.5 50 wait roll y -0.5 50 wait # Show surface with aromatic residues colored. # Put on one line so surface does not appear. surface #2 ; color white,s #2 ; surftransparency 100 #2 # Vertical orientation turn z 3 30 wait # Fade in surface surftransparency 95 #2 surftransparency 90 #2 surftransparency 85 #2 surftransparency 80 #2 surftransparency 75 #2 surftransparency 70 #2 surftransparency 65 #2 surftransparency 60 #2 surftransparency 55 #2 surftransparency 50 #2 surftransparency 45 #2 surftransparency 40 #2 surftransparency 35 #2 surftransparency 30 #2 surftransparency 25 #2 surftransparency 20 #2 surftransparency 15 #2 surftransparency 10 #2 surftransparency 5 #2 surftransparency 0 #2 # Color aromatic rings blue color blue aromatic ring # Rock and zoom out rock y 3 150 wait scale 0.98 50 wait # Stop recording and encode movie. movie stop movie encode output movie.mov bitrate 6000