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index.html
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index.html
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<!DOCTYPE html>
<html lang="en">
<head>
<meta charset="utf-8">
<title>3Dmol.js - A modern, object-oriented JavaScript library for visualizing molecular data</title>
<meta name="Author" content="David Koes">
<meta property="og:title" content="3Dmol.js - A modern, object-oriented JavaScript library for visualizing molecular data">
<meta property="og:description" content="3Dmol.js is an object-oriented, WebGL based JavaScript library for online molecular visualization - No Java required!">
<meta property="og:image" content="https://avatars.githubusercontent.com/u/15018659?s=200&v=4">
<meta property="og:url" content="https://3dmol.org">
<link rel="icon" type="image/png" href="favicon.ico">
<link rel="apple-touch-icon" href="favicon.ico">
<link type="text/css" rel="stylesheet" href="css/index.css">
<script src="https://code.jquery.com/jquery-3.6.3.min.js"
integrity="sha256-pvPw+upLPUjgMXY0G+8O0xUf+/Im1MZjXxxgOcBQBXU=" crossorigin="anonymous"></script>
<script src="build/3Dmol.js"></script>
<script>
(function (i, s, o, g, r, a, m) {
i['GoogleAnalyticsObject'] = r; i[r] = i[r] || function () {
(i[r].q = i[r].q || []).push(arguments)
}, i[r].l = 1 * new Date(); a = s.createElement(o),
m = s.getElementsByTagName(o)[0]; a.async = 1; a.src = g; m.parentNode.insertBefore(a, m)
})(window, document, 'script', '//www.google-analytics.com/analytics.js', 'ga');
ga('create', 'UA-55629183-1', 'auto');
ga('send', 'pageview');
</script>
<script>
var $3Dmol = $3Dmol || {};
const initSDF = function (viewer) {
const s1 = viewer.addSphere({ radius: 1.25, center: { x: -6.89, y: 0.75, z: 0.35 } });
s1.wireframe = true; s1.color = $3Dmol.CC.color("purple");
viewer.addLabel("Aromatic", { position: { x: -6.89, y: 0.75, z: 0.35 }, backgroundColor: 0x800080, backgroundOpacity: 0.8 });
const s2 = viewer.addSphere({ radius: 1.25, center: { x: 1.32, y: 2.91, z: -1.49 } });
s2.wireframe = true; s2.color = $3Dmol.CC.color("purple");
viewer.addLabel("Aromatic", { position: { x: 1.32, y: 2.91, z: -1.49 }, backgroundColor: 0x800080, backgroundOpacity: 0.8 });
const s3 = viewer.addSphere({ radius: 0.5, center: { x: -0.42, y: -0.48, z: 0.64 } });
s3.wireframe = true; s3.color = $3Dmol.CC.color(0xbbbbbb);
const a = viewer.addArrow({
start: { x: -0.4217, y: -0.4795, z: 0.6395 }, end: { x: -0.613, y: -0.891, z: -0.198 },
radius: 0.1
});
viewer.addLabel("Hydrogen Donor", { position: { x: -0.4217, y: -0.4795, z: 0.6395 }, backgroundColor: 0x808080, backgroundOpacity: 0.8 });
a.color = $3Dmol.CC.color(0xeeeeee);
viewer.render();
};
const initShapes = function (viewer) {
$.get('tests/test_structs/benzene-homo.cube', function (data) {
var voldata = new $3Dmol.VolumeData(data, "cube");
if (viewer.hasVolumetricRender()) {
viewer.addVolumetricRender(voldata, {
transferfn: [{ color: "blue", opacity: .075, value: 0.1 },
{ color: "blue", opacity: .001, value: 0.01 },
{ color: "white", opacity: 0, value: 0 },
{ color: "red", opacity: .001, value: -0.01 },
{ color: "red", opacity: .075, value: -0.1 }]
});
} else {
viewer.addIsosurface(voldata, { isoval: 0.01, color: "blue", alpha: 0.95, smoothness: 10 });
viewer.addIsosurface(voldata, { isoval: -0.01, color: "red", alpha: 0.95, smoothness: 10 });
}
viewer.setStyle({}, { stick: {} });
viewer.zoomTo();
viewer.render();
}, 'text');
};
const init1YCR = function (viewer) {
viewer.addStyle({}, { "line": {} });
viewer.addSurface($3Dmol.SurfaceType.VDW, { 'opacity': 0.8, colorscheme: 'whiteCarbon' }, { "chain": "A" }, { "chain": "A" });
viewer.addStyle({ "chain": "B" }, { "stick": { colorscheme: 'Jmol' } });
viewer.zoomTo({ "chain": "B" });
};
const addSurf = function (viewer) {
viewer.addSurface($3Dmol.SurfaceType.VDW, { opacity: 0.75 },
{ hetflag: false }, { hetflag: false }, { chain: 'B' });
};
$(document).ready(function () {
const hidetext = function () {
$("#text3Dmol, #viewtext, #embedtext, #teachtext, #jupytertext, #developtext").hide();
};
$('#view').hover(
function () {
hidetext();
$("#viewtext").show();
},
function () {
hidetext();
$("#text3Dmol").show();
});
$('#embed').hover(
function () {
hidetext();
$("#embedtext").show();
},
function () {
hidetext();
$("#text3Dmol").show();
});
$('#teach').hover(
function () {
hidetext();
$("#teachtext").show();
},
function () {
hidetext();
$("#text3Dmol").show();
});
$('#jupyter').hover(
function () {
hidetext();
$("#jupytertext").show();
},
function () {
hidetext();
$("#text3Dmol").show();
});
$('#develop').hover(
function () {
hidetext();
$("#developtext").show();
},
function () {
hidetext();
$("#text3Dmol").show();
});
});
</script>
</head>
<body>
<div id=content>
<div class="header">
<div id="title3Dmol"><b>3D</b>mol<font style="font-weight:400">.js</font>
</div>
<div id="title3Dmolright">
<div id="strip" class="titlefont">
<a href="doc/tutorial-url.html" id="view" class="titletext">View</a>
<a href="doc/tutorial-embeddable.html" id="embed" class="titletext">Embed</a>
<a href="doc/tutorial-learning_environment.html" id="teach" class="titletext">Teach</a>
<a href="https://colab.research.google.com/drive/1T2zR59TXyWRcNxRgOAiqVPJWhep83NV_?usp=sharing" id="jupyter"
class="titletext">Jupyter</a>
<a href="doc/index.html" id="develop" class="titletext">Develop</a>
</div>
<div id="infotext">
<span id="text3Dmol" class="floattext">A modern, object-oriented JavaScript library for visualizing molecular
data</span>
<span id="viewtext" class="floattext">View structures through a declarative URL interface</span>
<span id="embedtext" class="floattext">Embed molecular viewers in webpages with two lines of code</span>
<span id="teachtext" class="floattext">Engage students while teaching molecular structures</span>
<span id="jupytertext" class="floattext">Include interactive 3D structures in Jupyter notebooks</span>
<span id="developtext" class="floattext">Develop web applications using a full featured API</span>
</div>
</div>
<div id="rightstrip" class="titlefont">
<a id="issues" href="https://github.com/3dmol/3Dmol.js/issues" class="titletext">Feedback</a>
<a id="help" href="https://github.com/3dmol/3Dmol.js" class="titletext">Download</a>
</div>
</div>
</div>
<div id="viewercontainer" class="body row">
<div class="table">
<div class="tablerow">
<div id='viewer1' class='viewer_3Dmoljs' data-href='tests/test_structs/2por.pdb' data-backgroundcolor='0xffffff'
data-select='{"hetflag":false}' data-style='{"cartoon":{"color":"spectrum"}}'></div>
<div id='viewer2' class='viewer_3Dmoljs' data-element='moldata_sdf' data-datatype='sdf'
data-style='{"stick":{}}' data-callback='initSDF' data-backgroundcolor='0xf6f6f6'></div>
</div>
<div class="tablerow">
<div id='viewer4' class='viewer_3Dmoljs' data-href="tests/test_structs/benzene.sdf" data-datatype="sdf"
data-callback='initShapes' data-backgroundcolor='0xf6f6f6'></div>
<div id='viewer3' class='viewer_3Dmoljs' data-href='tests/test_structs/1YCR.pdb' data-backgroundcolor='0xffffff'
data-style='{"cartoon":{}}' data-callback='init1YCR'></div>
</div>
</div>
<textarea style="display: none;" id="moldata_sdf">v:U4C5Cr:4
-OEChem-12201211493D
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M CHG 2 35 1 40 -1
M END
</textarea>
</body>
</html>