reinitialize import rotkit fetch 1HP1, async=0 show_as cartoon, 1HP1 show_as sticks, 1HP1 and resn ATP ###################### Make rotation axis ################# pseudoatom axisA, vdw=1.0 pseudoatom axisB, vdw=1.0 rotkit.toline("/1HP1//A/477/C","/1HP1//A/423/CG1","axisA","axisA",20) rotkit.toline("/1HP1//A/423/CG1","/1HP1//A/477/C","axisB","axisB",5) show spheres, axisA or axisB label axisA, "axisA" label axisB, "axisB" dist rotaxis, axisA, axisB color green, rotaxis set dash_width, 5 set dash_gap, 0 hide label, rotaxis ## Create rotate states of 1HP1 create 1HP1_rot, 1HP1, 1, 1 python ang_incr = 1 anglerange = range(2,98,ang_incr) nrstates = len(anglerange)+1 states = 1 for angle in anglerange: states += 1 rot_1HP1 = "1HP1_rot_%s"%angle cmd.create(rot_1HP1,"(1HP1 and resi 363-550) or (1HP1 and resn ATP)") rotkit.rotateline("axisA","axisB",-(angle-1),rot_1HP1) cmd.create("1HP1_rot",rot_1HP1,1,states) cmd.create("1HP1_rot",rot_1HP1,1,2*nrstates-states) cmd.delete(rot_1HP1) python end hide cartoon, (1HP1 and resi 363-550) hide sticks, (1HP1 and resn ATP) mplay