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webgl_loader_pdb.html
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<!DOCTYPE html>
<html lang="en">
<head>
<title>three.js webgl - molecules</title>
<meta charset="utf-8">
<meta name="viewport" content="width=device-width, user-scalable=no, minimum-scale=1.0, maximum-scale=1.0">
<style>
body {
margin: 0;
font-family: Arial;
overflow: hidden;
}
a {
color: #ffffff;
}
#info {
position: absolute;
top: 0px;
width: 100%;
color: #ffffff;
padding: 5px;
font-family: Monospace;
font-size: 13px;
font-weight: bold;
text-align: center;
z-index: 1;
}
#menu {
position: absolute;
bottom: 20px;
width: 100%;
text-align: center;
padding: 0;
margin: 0;
}
button {
color: rgb(255,255,255);
background: transparent;
border: 0px;
padding: 5px 10px;
cursor: pointer;
}
button:hover {
background-color: rgba(0,255,255,0.5);
}
button:active {
color: #000000;
background-color: rgba(0,255,255,1);
}
.label {
text-shadow: -1px 1px 1px rgb(0,0,0);
margin-left: 25px;
}
</style>
</head>
<body>
<script src="../build/three.js"></script>
<script src="js/controls/TrackballControls.js"></script>
<script src="js/loaders/PDBLoader.js"></script>
<script src="js/renderers/CSS2DRenderer.js"></script>
<div id="container"></div>
<div id="info"><a href="http://threejs.org" target="_blank" rel="noopener">three.js webgl</a> - molecules</div>
<div id="menu"></div>
<script>
var camera, scene, renderer, labelRenderer;
var controls;
var root;
var MOLECULES = {
"Ethanol": "ethanol.pdb",
"Aspirin": "aspirin.pdb",
"Caffeine": "caffeine.pdb",
"Nicotine": "nicotine.pdb",
"LSD": "lsd.pdb",
"Cocaine": "cocaine.pdb",
"Cholesterol": "cholesterol.pdb",
"Lycopene": "lycopene.pdb",
"Glucose": "glucose.pdb",
"Aluminium oxide": "Al2O3.pdb",
"Cubane": "cubane.pdb",
"Copper": "cu.pdb",
"Fluorite": "caf2.pdb",
"Salt": "nacl.pdb",
"YBCO superconductor": "ybco.pdb",
"Buckyball": "buckyball.pdb",
"Graphite": "graphite.pdb"
};
var loader = new THREE.PDBLoader();
var offset = new THREE.Vector3();
var menu = document.getElementById( 'menu' );
init();
animate();
function init() {
scene = new THREE.Scene();
scene.background = new THREE.Color( 0x050505 );
camera = new THREE.PerspectiveCamera( 70, window.innerWidth / window.innerHeight, 1, 5000 );
camera.position.z = 1000;
scene.add( camera );
var light = new THREE.DirectionalLight( 0xffffff, 0.8 );
light.position.set( 1, 1, 1 );
scene.add( light );
var light = new THREE.DirectionalLight( 0xffffff, 0.5 );
light.position.set( - 1, - 1, 1 );
scene.add( light );
root = new THREE.Group();
scene.add( root );
//
renderer = new THREE.WebGLRenderer( { antialias: true } );
renderer.setPixelRatio( window.devicePixelRatio );
renderer.setSize( window.innerWidth, window.innerHeight );
document.getElementById( 'container' ).appendChild( renderer.domElement );
labelRenderer = new THREE.CSS2DRenderer();
labelRenderer.setSize( window.innerWidth, window.innerHeight );
labelRenderer.domElement.style.position = 'absolute';
labelRenderer.domElement.style.top = '0';
labelRenderer.domElement.style.pointerEvents = 'none';
document.getElementById( 'container' ).appendChild( labelRenderer.domElement );
//
controls = new THREE.TrackballControls( camera, renderer.domElement );
controls.minDistance = 500;
controls.maxDistance = 2000;
//
loadMolecule( 'models/molecules/caffeine.pdb' );
createMenu();
//
window.addEventListener( 'resize', onWindowResize, false );
}
//
function generateButtonCallback( url ) {
return function () {
loadMolecule( url );
};
}
function createMenu() {
for ( var m in MOLECULES ) {
var button = document.createElement( 'button' );
button.innerHTML = m;
menu.appendChild( button );
var url = 'models/molecules/' + MOLECULES[ m ];
button.addEventListener( 'click', generateButtonCallback( url ), false );
}
}
//
function loadMolecule( url ) {
while ( root.children.length > 0 ) {
var object = root.children[ 0 ];
object.parent.remove( object );
}
loader.load( url, function ( pdb ) {
var geometryAtoms = pdb.geometryAtoms;
var geometryBonds = pdb.geometryBonds;
var json = pdb.json;
var boxGeometry = new THREE.BoxBufferGeometry( 1, 1, 1 );
var sphereGeometry = new THREE.IcosahedronBufferGeometry( 1, 2 );
geometryAtoms.computeBoundingBox();
geometryAtoms.boundingBox.getCenter( offset ).negate();
geometryAtoms.translate( offset.x, offset.y, offset.z );
geometryBonds.translate( offset.x, offset.y, offset.z );
var positions = geometryAtoms.getAttribute( 'position' );
var colors = geometryAtoms.getAttribute( 'color' );
var position = new THREE.Vector3();
var color = new THREE.Color();
for ( var i = 0; i < positions.count; i ++ ) {
position.x = positions.getX( i );
position.y = positions.getY( i );
position.z = positions.getZ( i );
color.r = colors.getX( i );
color.g = colors.getY( i );
color.b = colors.getZ( i );
var material = new THREE.MeshPhongMaterial( { color: color } );
var object = new THREE.Mesh( sphereGeometry, material );
object.position.copy( position );
object.position.multiplyScalar( 75 );
object.scale.multiplyScalar( 25 );
root.add( object );
var atom = json.atoms[ i ];
var text = document.createElement( 'div' );
text.className = 'label';
text.style.color = 'rgb(' + atom[ 3 ][ 0 ] + ',' + atom[ 3 ][ 1 ] + ',' + atom[ 3 ][ 2 ] + ')';
text.textContent = atom[ 4 ];
var label = new THREE.CSS2DObject( text );
label.position.copy( object.position );
root.add( label );
}
positions = geometryBonds.getAttribute( 'position' );
var start = new THREE.Vector3();
var end = new THREE.Vector3();
for ( var i = 0; i < positions.count; i += 2 ) {
start.x = positions.getX( i );
start.y = positions.getY( i );
start.z = positions.getZ( i );
end.x = positions.getX( i + 1 );
end.y = positions.getY( i + 1 );
end.z = positions.getZ( i + 1 );
start.multiplyScalar( 75 );
end.multiplyScalar( 75 );
var object = new THREE.Mesh( boxGeometry, new THREE.MeshPhongMaterial( 0xffffff ) );
object.position.copy( start );
object.position.lerp( end, 0.5 );
object.scale.set( 5, 5, start.distanceTo( end ) );
object.lookAt( end );
root.add( object );
}
render();
} );
}
//
function onWindowResize() {
camera.aspect = window.innerWidth / window.innerHeight;
camera.updateProjectionMatrix();
renderer.setSize( window.innerWidth, window.innerHeight );
labelRenderer.setSize( window.innerWidth, window.innerHeight );
render();
}
function animate() {
requestAnimationFrame( animate );
controls.update();
var time = Date.now() * 0.0004;
root.rotation.x = time;
root.rotation.y = time * 0.7;
render();
}
function render() {
renderer.render( scene, camera );
labelRenderer.render( scene, camera );
}
</script>
</body>
</html>