webgl_loader_pdb.html 6.7 KB

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  1. <!DOCTYPE html>
  2. <html>
  3. <head>
  4. <meta charset="utf-8">
  5. <meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
  6. <title>three.js webgl - molecules</title>
  7. <style>
  8. body {
  9. margin: 0;
  10. font-family: Arial;
  11. overflow: hidden;
  12. }
  13. a {
  14. color: #ffffff;
  15. }
  16. #info {
  17. position: absolute;
  18. top: 0px;
  19. width: 100%;
  20. color: #ffffff;
  21. padding: 5px;
  22. font-family: Monospace;
  23. font-size: 13px;
  24. font-weight: bold;
  25. text-align: center;
  26. z-index: 1;
  27. }
  28. #menu {
  29. position: absolute;
  30. bottom: 20px;
  31. width: 100%;
  32. text-align: center;
  33. padding: 0;
  34. margin: 0;
  35. }
  36. button {
  37. color: rgb(255,255,255);
  38. background: transparent;
  39. border: 0px;
  40. padding: 5px 10px;
  41. cursor: pointer;
  42. }
  43. button:hover {
  44. background-color: rgba(0,255,255,0.5);
  45. }
  46. button:active {
  47. color: #000000;
  48. background-color: rgba(0,255,255,1);
  49. }
  50. .label {
  51. text-shadow: -1px 1px 1px rgb(0,0,0);
  52. margin-left: 25px;
  53. }
  54. </style>
  55. </head>
  56. <body>
  57. <script src="../build/three.min.js"></script>
  58. <script src="js/controls/TrackballControls.js"></script>
  59. <script src="js/loaders/PDBLoader.js"></script>
  60. <script src="js/renderers/CSS2DRenderer.js"></script>
  61. <div id="container"></div>
  62. <div id="info"><a href="http://threejs.org" target="_blank">three.js webgl</a> - molecules</div>
  63. <div id="menu"></div>
  64. <script>
  65. var camera, scene, renderer, labelsRenderer;
  66. var controls;
  67. var root;
  68. var MOLECULES = {
  69. "Ethanol": "ethanol.pdb",
  70. "Aspirin": "aspirin.pdb",
  71. "Caffeine": "caffeine.pdb",
  72. "Nicotine": "nicotine.pdb",
  73. "LSD": "lsd.pdb",
  74. "Cocaine": "cocaine.pdb",
  75. "Cholesterol": "cholesterol.pdb",
  76. "Lycopene": "lycopene.pdb",
  77. "Glucose": "glucose.pdb",
  78. "Aluminium oxide": "Al2O3.pdb",
  79. "Cubane": "cubane.pdb",
  80. "Copper": "cu.pdb",
  81. "Fluorite": "caf2.pdb",
  82. "Salt": "nacl.pdb",
  83. "YBCO superconductor": "ybco.pdb",
  84. "Buckyball": "buckyball.pdb",
  85. //"Diamond": "diamond.pdb",
  86. "Graphite": "graphite.pdb"
  87. };
  88. var loader = new THREE.PDBLoader();
  89. var menu = document.getElementById( "menu" );
  90. init();
  91. animate();
  92. function init() {
  93. camera = new THREE.PerspectiveCamera( 70, window.innerWidth / window.innerHeight, 1, 5000 );
  94. camera.position.z = 1500;
  95. scene = new THREE.Scene();
  96. var light = new THREE.HemisphereLight( 0xffffff, 0x000000 );
  97. light.position.set( 1, 1, 1 );
  98. scene.add( light );
  99. root = new THREE.Object3D();
  100. scene.add( root );
  101. //
  102. renderer = new THREE.WebGLRenderer( { antialias: true } );
  103. renderer.setClearColor( 0x050505 );
  104. renderer.setPixelRatio( window.devicePixelRatio );
  105. renderer.setSize( window.innerWidth, window.innerHeight );
  106. document.getElementById( 'container' ).appendChild( renderer.domElement );
  107. labelRenderer = new THREE.CSS2DRenderer();
  108. labelRenderer.setSize( window.innerWidth, window.innerHeight );
  109. labelRenderer.domElement.style.position = 'absolute';
  110. labelRenderer.domElement.style.top = '0';
  111. labelRenderer.domElement.style.pointerEvents = 'none';
  112. document.getElementById( 'container' ).appendChild( labelRenderer.domElement );
  113. //
  114. controls = new THREE.TrackballControls( camera, renderer.domElement );
  115. controls.rotateSpeed = 0.5;
  116. controls.addEventListener( 'change', render );
  117. //
  118. loadMolecule( "models/molecules/caffeine.pdb" );
  119. createMenu();
  120. //
  121. window.addEventListener( 'resize', onWindowResize, false );
  122. }
  123. //
  124. function generateButtonCallback( url ) {
  125. return function ( event ) {
  126. loadMolecule( url );
  127. }
  128. }
  129. function createMenu() {
  130. for ( var m in MOLECULES ) {
  131. var button = document.createElement( 'button' );
  132. button.innerHTML = m;
  133. menu.appendChild( button );
  134. var url = "models/molecules/" + MOLECULES[ m ];
  135. button.addEventListener( 'click', generateButtonCallback( url ), false );
  136. }
  137. }
  138. //
  139. function loadMolecule( url ) {
  140. while( root.children.length > 0 ) {
  141. var object = root.children[ 0 ];
  142. object.parent.remove( object );
  143. }
  144. loader.load( url, function ( geometry, geometryBonds, json ) {
  145. var boxGeometry = new THREE.BoxGeometry( 1, 1, 1 );
  146. var sphereGeometry = new THREE.IcosahedronGeometry( 1, 2 );
  147. var offset = geometry.center();
  148. geometryBonds.applyMatrix( new THREE.Matrix4().makeTranslation( offset.x, offset.y, offset.z ) );
  149. for ( var i = 0; i < geometry.vertices.length; i ++ ) {
  150. var position = geometry.vertices[ i ];
  151. var color = geometry.colors[ i ];
  152. var element = geometry.elements[ i ];
  153. var material = new THREE.MeshLambertMaterial( { color: color } );
  154. var object = new THREE.Mesh( sphereGeometry, material );
  155. object.position.copy( position );
  156. object.position.multiplyScalar( 75 );
  157. object.scale.multiplyScalar( 25 );
  158. root.add( object );
  159. var atom = json.atoms[ i ];
  160. var text = document.createElement( 'div' );
  161. text.className = 'label';
  162. text.style.color = 'rgb(' + atom[ 3 ][ 0 ] + ',' + atom[ 3 ][ 1 ] + ',' + atom[ 3 ][ 2 ] + ')';
  163. text.textContent = atom[ 4 ];
  164. var label = new THREE.CSS2DObject( text );
  165. label.position.copy( object.position );
  166. root.add( label );
  167. }
  168. for ( var i = 0; i < geometryBonds.vertices.length; i += 2 ) {
  169. var start = geometryBonds.vertices[ i ];
  170. var end = geometryBonds.vertices[ i + 1 ];
  171. start.multiplyScalar( 75 );
  172. end.multiplyScalar( 75 );
  173. var object = new THREE.Mesh( boxGeometry, new THREE.MeshLambertMaterial( 0xffffff ) );
  174. object.position.copy( start );
  175. object.position.lerp( end, 0.5 );
  176. object.scale.set( 5, 5, start.distanceTo( end ) );
  177. object.lookAt( end );
  178. root.add( object );
  179. }
  180. render();
  181. }, function ( xhr ) {
  182. if ( xhr.lengthComputable ) {
  183. var percentComplete = xhr.loaded / xhr.total * 100;
  184. console.log( Math.round(percentComplete, 2) + '% downloaded' );
  185. }
  186. }, function ( xhr ) {
  187. } );
  188. }
  189. //
  190. function onWindowResize() {
  191. camera.aspect = window.innerWidth / window.innerHeight;
  192. camera.updateProjectionMatrix();
  193. renderer.setSize( window.innerWidth, window.innerHeight );
  194. labelRenderer.setSize( window.innerWidth, window.innerHeight );
  195. render();
  196. }
  197. function animate() {
  198. requestAnimationFrame( animate );
  199. controls.update();
  200. var time = Date.now() * 0.0004;
  201. root.rotation.x = time;
  202. root.rotation.y = time * 0.7;
  203. render();
  204. }
  205. function render() {
  206. renderer.render( scene, camera );
  207. labelRenderer.render( scene, camera );
  208. }
  209. </script>
  210. </body>
  211. </html>