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# create an animation for a molecule
# do we want to create a movie with PNGs or POVRays?
def my_task():
m.processEvents(1000)
#s.exportPOVRay()
#s.exportPNG()
s = getScene()
mc = getMolecularControl()
m = getMainControl()
# delete old representations and disable new representations
clearAll()
showOnlyScene()
getDisplayProperties().enableCreationForNewMolecules(0)
#the molecule to animate
openFile(Path().find("structures/1A1F.pdb"))
system = getSystem(0)
removeWater()
# obtain the different chains
chain_a = []
chain_a.append(chains(system)[0])
chain_a.append(chains(system)[1])
chain_b_c = []
chain_b_c.append(chains(system)[2])
chain_b_c.append(chains(system)[3])
# select model to create later
getDisplayProperties().selectModel(MODEL_CARTOON)
getDisplayProperties().selectColoringMethod(COLORING_CHAIN)
getDisplayProperties().setDrawingPrecision(DRAWING_PRECISION_HIGH)
# we have to wait for the new representations
setMultithreading(0)
getDisplayProperties().createRepresentation(chain_a)
getDisplayProperties().selectColoringMethod(COLORING_RESIDUE_INDEX)
getDisplayProperties().createRepresentation(chain_b_c)
# we are done with the representations:
getDisplayProperties().enableCreationForNewMolecules(1)
setMultithreading(1)
#set camera point
camera = Camera(s.getStage().getCamera())
camera.setViewPoint(Vector3(20.2,-24.9,19.3))
camera.setLookAtPosition(Vector3(3.0,11.1,47.3))
camera.setLookUpVector(Vector3(0.9,0.47,0))
s.setCamera(camera)
#rotate right
angle_step = 2
for i in range(0, 390 / angle_step):
s.rotate(angle_step, 0)
my_task()
# move chain C
setMultithreading(0)
move_step = 0.7
for i in range(0, 45 / move_step):
s.moveComposites(chain_a, Vector3(-move_step, move_step, 0))
my_task()
#remove chain a
mc.highlight(chain_a)
mc.cut()
setMultithreading(1)
#rotate right
for i in range(0, 360 / angle_step):
s.rotate(angle_step, 0)
my_task()
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