load data/cyclflip2.jmol myModel = _modelFile delay 1 set antialiasdisplay animation off anim mode once set echo top center echo cyclohexane ring flip -- no boat moveto /* time, axisAngle */ 2.0 { -678 135 723 116.64} /* zoom, translation */ 100.0 0.0 0.42 /* center, rotationRadius */ {0.75536114 1.1072346 0.5814115} 3.72 /* navigation center, translation, depth */ {0.0 0.0 0.0} 13.931754 7.0809917 0.0; delay 4 moveto /* time, axisAngle */ 2.0 { -926 -48 375 120.19} /* zoom, translation */ 100.0 0.0 0.42 /* center, rotationRadius */ {0.75536114 1.1072346 0.5814115} 3.72 /* navigation center, translation, depth */ {0.0 0.0 0.0} 0.27802786 3.952845 0.0; var doflip = false function showEnergy() { if (_modelFile != myModel) { set animframeCallback "" return } var y = (_modelname.split("= ")[3].split(" ")[1] - (-162)) * 10 var x = (_frameid % 1000000) / 35.0 * (_width - 40) + 20 draw [@{x-5} @{y/4}] [@x @{y/4}] if (_frameid == 1000001 || _frameid == 1000035) { animation off if (_frameid == 1000001) { echo chair 1 (orange hydrogens axial) } else { echo chair 2 (white hydrogens axial) } delay 5 moveto /* time, axisAngle */ 2.0 { -678 135 723 116.64} /* zoom, translation */ 100.0 0.0 0.42 /* center, rotationRadius */ {0.75536114 1.1072346 0.5814115} 3.72 /* navigation center, translation, depth */ {0.0 0.0 0.0} 13.931754 7.0809917 0.0; delay 5 moveto /* time, axisAngle */ 2.0 { -926 -48 375 120.19} /* zoom, translation */ 100.0 0.0 0.42 /* center, rotationRadius */ {0.75536114 1.1072346 0.5814115} 3.72 /* navigation center, translation, depth */ {0.0 0.0 0.0} 0.27802786 3.952845 0.0; delay 5 echo ... if (_frameid == 1000001) { animation on } else { animation playrev } } if (_frameid == 1000017) { animation off; echo "twist boat (local minimum)"; delay 3; if (doflip) { echo "rotating about the c2 axis"; rotate z 180 50; delay 5; } doflip = !doflip echo continuing...;animation play } if (_frameid == 1000010 || _frameid == 1000025) { echo "half chair (transition state)"; animation off;delay 5;echo "..."; animation play } } set animFrameCallback "jmolscript:showEnergy" animation on