Previous Next

Hardy Cope Transition State – 2

Author: Dennis Svatunek





Date:
21.02.2024
Version:
1.0
License:
CC BY-NC
Description:
Hardy Cope Transition State
View Code
<script src="https://code.jquery.com/jquery-3.6.0.min.js"></script>

<script src="https://3Dmol.org/build/3Dmol-min.js"></script>

<div style="text-align: center;">
<div id="D0408" style="margin: auto; width: 400px; height: 400px;"></div>
</div>
<script>
(function() {
  $(document).ready(function() {
    var viewer = $3Dmol.createViewer("D0408", {defaultcolors: $3Dmol.elementColors.Jmol});
    var xyz = `16 
* (null), Energy   -276.0000000  
C    -1.226299  0.909890 -0.256554  0.02   0.45  -0.09
C     0.000000  1.431752  0.245120 -0.05   0.00  -0.00
C     1.226299  0.909890 -0.256554  0.02  -0.45   0.09
C     1.226299 -0.909890  0.256554  0.02   0.45  -0.09
C     0.000000 -1.431752 -0.245120 -0.05   0.00  -0.00
C    -1.226299 -0.909889  0.256554  0.02  -0.45   0.09
H    -2.162790  1.302164  0.181672 -0.03   0.18   0.00
H     0.000000  1.850925  1.268642 -0.01  -0.00   0.00
H     1.308909  0.786407 -1.351569  0.03   0.08   0.01
H     2.162790 -1.302164 -0.181672 -0.03   0.18   0.00
H    -1.308909 -0.786407  1.351569  0.03   0.08   0.01
H    -2.162790 -1.302163 -0.181672 -0.03  -0.18  -0.00
H    -1.308909  0.786407 -1.351569  0.03  -0.08  -0.01
H     1.308909 -0.786407  1.351569  0.03  -0.08  -0.01
H     2.162790  1.302163  0.181672 -0.03  -0.18  -0.00
H     0.000000 -1.850926 -1.268642 -0.01  -0.00  -0.00
    `; 
    viewer.addModel(xyz, "xyz");
    viewer.vibrate(10, 0.8, true);
    viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
    viewer.zoomTo();
    viewer.zoom(1.4);
    viewer.setBackgroundColor('#f9f9f9');
	viewer.rotate(180, {x: 0, y: 1, z: 0});
    viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
    viewer.animate({loop: 'backandforth', interval: 100, reps: 0});
    viewer.render();
$("#D0408").css("position", "relative");
  });
})(); 
</script>


Copyright © 2024 Dennis Svatunek.