webgl_loader_pdb.html 7.2 KB

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  1. <!DOCTYPE html>
  2. <html lang="en">
  3. <head>
  4. <title>three.js webgl - molecules</title>
  5. <meta charset="utf-8">
  6. <meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
  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.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" rel="noopener">three.js webgl</a> - molecules</div>
  63. <div id="menu"></div>
  64. <script>
  65. var camera, scene, renderer, labelRenderer;
  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. "Graphite": "graphite.pdb"
  86. };
  87. var loader = new THREE.PDBLoader();
  88. var menu = document.getElementById( 'menu' );
  89. init();
  90. animate();
  91. function init() {
  92. scene = new THREE.Scene();
  93. camera = new THREE.PerspectiveCamera( 70, window.innerWidth / window.innerHeight, 1, 5000 );
  94. camera.position.z = 1000;
  95. scene.add( camera );
  96. var light = new THREE.DirectionalLight( 0xffffff, 0.8 );
  97. light.position.set( 1, 1, 1 );
  98. scene.add( light );
  99. var light = new THREE.DirectionalLight( 0xffffff, 0.5 );
  100. light.position.set( -1, -1, 1 );
  101. scene.add( light );
  102. root = new THREE.Group();
  103. scene.add( root );
  104. //
  105. renderer = new THREE.WebGLRenderer( { antialias: true } );
  106. renderer.setClearColor( 0x050505 );
  107. renderer.setPixelRatio( window.devicePixelRatio );
  108. renderer.setSize( window.innerWidth, window.innerHeight );
  109. document.getElementById( 'container' ).appendChild( renderer.domElement );
  110. labelRenderer = new THREE.CSS2DRenderer();
  111. labelRenderer.setSize( window.innerWidth, window.innerHeight );
  112. labelRenderer.domElement.style.position = 'absolute';
  113. labelRenderer.domElement.style.top = '0';
  114. labelRenderer.domElement.style.pointerEvents = 'none';
  115. document.getElementById( 'container' ).appendChild( labelRenderer.domElement );
  116. //
  117. controls = new THREE.TrackballControls( camera, renderer.domElement );
  118. controls.minDistance = 500;
  119. controls.maxDistance = 2000;
  120. //
  121. loadMolecule( 'models/molecules/caffeine.pdb' );
  122. createMenu();
  123. //
  124. window.addEventListener( 'resize', onWindowResize, false );
  125. }
  126. //
  127. function generateButtonCallback( url ) {
  128. return function ( event ) {
  129. loadMolecule( url );
  130. }
  131. }
  132. function createMenu() {
  133. for ( var m in MOLECULES ) {
  134. var button = document.createElement( 'button' );
  135. button.innerHTML = m;
  136. menu.appendChild( button );
  137. var url = 'models/molecules/' + MOLECULES[ m ];
  138. button.addEventListener( 'click', generateButtonCallback( url ), false );
  139. }
  140. }
  141. //
  142. function loadMolecule( url ) {
  143. while ( root.children.length > 0 ) {
  144. var object = root.children[ 0 ];
  145. object.parent.remove( object );
  146. }
  147. loader.load( url, function ( result ) {
  148. var geometryAtoms = result.geometryAtoms;
  149. var geometryBonds = result.geometryBonds;
  150. var json = result.json;
  151. var boxGeometry = new THREE.BoxBufferGeometry( 1, 1, 1 );
  152. var sphereGeometry = new THREE.IcosahedronBufferGeometry( 1, 2 );
  153. var offset = geometryAtoms.center();
  154. geometryBonds.translate( offset.x, offset.y, offset.z );
  155. var positions = geometryAtoms.getAttribute( 'position' );
  156. var colors = geometryAtoms.getAttribute( 'color' );
  157. var position = new THREE.Vector3();
  158. var color = new THREE.Color();
  159. for ( var i = 0; i < positions.count; i ++ ) {
  160. position.x = positions.getX( i );
  161. position.y = positions.getY( i );
  162. position.z = positions.getZ( i );
  163. color.r = colors.getX( i );
  164. color.g = colors.getY( i );
  165. color.b = colors.getZ( i );
  166. var material = new THREE.MeshPhongMaterial( { color: color } );
  167. var object = new THREE.Mesh( sphereGeometry, material );
  168. object.position.copy( position );
  169. object.position.multiplyScalar( 75 );
  170. object.scale.multiplyScalar( 25 );
  171. root.add( object );
  172. var atom = json.atoms[ i ];
  173. var text = document.createElement( 'div' );
  174. text.className = 'label';
  175. text.style.color = 'rgb(' + atom[ 3 ][ 0 ] + ',' + atom[ 3 ][ 1 ] + ',' + atom[ 3 ][ 2 ] + ')';
  176. text.textContent = atom[ 4 ];
  177. var label = new THREE.CSS2DObject( text );
  178. label.position.copy( object.position );
  179. root.add( label );
  180. }
  181. positions = geometryBonds.getAttribute( 'position' );
  182. var start = new THREE.Vector3();
  183. var end = new THREE.Vector3();
  184. for ( var i = 0; i < positions.count; i += 2 ) {
  185. start.x = positions.getX( i );
  186. start.y = positions.getY( i );
  187. start.z = positions.getZ( i );
  188. end.x = positions.getX( i + 1 );
  189. end.y = positions.getY( i + 1 );
  190. end.z = positions.getZ( i + 1 );
  191. start.multiplyScalar( 75 );
  192. end.multiplyScalar( 75 );
  193. var object = new THREE.Mesh( boxGeometry, new THREE.MeshPhongMaterial( 0xffffff ) );
  194. object.position.copy( start );
  195. object.position.lerp( end, 0.5 );
  196. object.scale.set( 5, 5, start.distanceTo( end ) );
  197. object.lookAt( end );
  198. root.add( object );
  199. }
  200. render();
  201. } );
  202. }
  203. //
  204. function onWindowResize() {
  205. camera.aspect = window.innerWidth / window.innerHeight;
  206. camera.updateProjectionMatrix();
  207. renderer.setSize( window.innerWidth, window.innerHeight );
  208. labelRenderer.setSize( window.innerWidth, window.innerHeight );
  209. render();
  210. }
  211. function animate() {
  212. requestAnimationFrame( animate );
  213. controls.update();
  214. var time = Date.now() * 0.0004;
  215. root.rotation.x = time;
  216. root.rotation.y = time * 0.7;
  217. render();
  218. }
  219. function render() {
  220. renderer.render( scene, camera );
  221. labelRenderer.render( scene, camera );
  222. }
  223. </script>
  224. </body>
  225. </html>