jsme
Version:
JSME is a free molecule editor written in JavaScript. JSME is a direct successor of the JME Molecule Editor applet. JSME supports drawing and editing of molecules and reactions on desktop computer, as well as on handheld devices including iPhone, iPad and
139 lines (131 loc) • 7.49 kB
HTML
<html>
<head>
<script type="text/javascript" language="javascript"
src="../jsme/jsme.nocache.js"></script>
<title>JME Example3</title>
<script>
function fromEditor(f) {
var n = f.to.selectedIndex;
var jme = document.JME.jmeFile();
document.jsapplets[n+1].readMolecule(jme);
}
function toEditor(f) {
var n = f.to.selectedIndex;
var jme = document.jsapplets[n+1].jmeFile();
document.JME.readMolecule(jme);
}
function loadJmeFile() {
var jme="24 26 C 9.72 -8.71 C 9.72 -7.31 C 8.51 -6.61 C 7.30 -7.31 C 7.30 -8.71 C 8.51 -9.41 N 10.94 -9.41 C 12.15 -8.71 N 12.15 -7.31 C 10.94 -6.61 S 6.09 -6.61 N 4.87 -5.91 O 6.79 -5.40 O 5.39 -7.82 Cl 6.09 -9.41 O 10.94 -5.21 C 13.36 -9.41 C 13.36 -6.61 C 14.57 -7.31 C 15.79 -6.61 C 15.79 -5.21 C 14.57 -4.51 C 13.36 -5.21 C 14.57 -8.71 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 6 1 2 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 4 11 1 11 12 1 11 13 2 11 14 2 5 15 1 10 16 2 8 17 1 9 18 1 19 20 1 20 21 2 21 22 1 22 23 2 18 23 1 18 19 2 19 24 1";
document.jsapplets[3].readMolecule(jme);
}
function loadMolFile() {
var mol = "O=C(O)c4cn(C1CC1)c3cc(N2CCNCC2)c(F)cc3c4=O |JME 2000.10 Mon Nov 06 13:13:26 GMT+01:00 2000 || 24 27 V2000 | 3.9755 -8.0947 0.0000 O | 7.6150 -10.1944 0.0000 O | 5.1953 -10.1944 0.0000 O | 12.4643 -8.7946 0.0000 F | 10.0346 -8.7946 0.0000 C | 10.0346 -5.9950 0.0000 C | 6.4051 -6.6949 0.0000 C | 13.6741 -3.8953 0.0000 C | 14.8839 -5.9950 0.0000 C | 6.9151 -3.3754 0.0000 C | 8.3149 -3.3754 0.0000 C | 12.4643 -4.5952 0.0000 C | 13.6741 -6.6949 0.0000 C | 14.8839 -4.5952 0.0000 N | 5.1953 -8.7946 0.0000 C | 11.2544 -8.0947 0.0000 C | 6.4051 -8.0947 0.0000 C | 11.2544 -6.6949 0.0000 C | 7.6150 -8.7946 0.0000 C | 8.8248 -8.0947 0.0000 C | 8.8248 -6.6949 0.0000 C | 7.6150 -4.5952 0.0000 C | 12.4643 -5.9950 0.0000 N | 7.6150 -5.9950 0.0000 N | 1 15 2 0 | 2 19 2 0 | 3 15 1 0 | 4 16 1 0 | 5 16 1 0 | 5 20 2 0 | 6 18 1 0 | 6 21 2 0 | 7 17 2 0 | 7 24 1 0 | 8 12 1 0 | 8 14 1 0 | 9 13 1 0 | 9 14 1 0 | 10 11 1 0 | 10 22 1 0 | 11 22 1 0 | 12 23 1 0 | 13 23 1 0 | 15 17 1 0 | 16 18 2 0 | 17 19 1 0 | 18 23 1 0 | 19 20 1 0 | 20 21 1 0 | 21 24 1 0 | 22 24 1 0 |M END ";
document.jsapplets[4].readMolFile(mol);
}
//Replacement for body onLoad
//otherwise onLoad will be called before all JSME applets are ready
function jsmeOnLoad() {
loadJmeFile();loadMolFile();
}
</script>
</head>
<body onLoad="">
<h2>Loading molecules to and from JME</h2>
<form>
<font size="2"><table width="100%">
<tr>
<td valign="top"><div name="JME" code="JME.class"
archive="JME.jar" width=350 height=350></div>
<br>
<font face="arial,helvetica,sans-serif"><small><a
href="http://www.molinspiration.com/jme/index.html">JME
Editor</a> courtesy of Peter Ertl, Novartis</small></font>
<p>
Active molecule window # <select name="to"><option>1
<option>2
<option>3
<option>4</select>
<p>
<input type="button" value="Transfer from editor"
onClick="fromEditor(this.form)">
<p>
<input type="button" value="Transfer to editor"
onClick="toEditor(this.form)"></td>
<td><table border=1>
<tr>
<td>
<!--//-->
<div code="JME.class" archive="JME.jar" width=250 height=120>
<param name="options" value="depict">
<param name="mol"
value=" CC(C)NCC(O)COc1cccc2[nH]ccc12|
JME 2000.10 Mon Nov 06 11:12:01 GMT+01:00 2000|
|
18 19 V2000|
4.6662 -8.3962 0.0000 C |
3.4157 -6.3154 0.0000 C |
8.2377 -4.8348 0.0000 O |
13.1697 -8.9465 0.0000 C |
14.7704 -4.6047 0.0000 C |
11.9392 -8.2662 0.0000 C |
14.3702 -8.2262 0.0000 C |
13.3798 -4.7747 0.0000 C |
7.0672 -6.9556 0.0000 C |
9.4882 -6.9156 0.0000 C |
5.8367 -6.2754 0.0000 N |
15.3606 -5.8752 0.0000 N |
10.6887 -6.1953 0.0000 O |
11.9192 -6.8656 0.0000 C |
14.3402 -6.8256 0.0000 C |
13.1197 -6.1453 0.0000 C |
4.6362 -6.9957 0.0000 C |
8.2677 -6.2353 0.0000 C |
1 17 1 0 |
2 17 1 0 |
3 18 1 0 |
4 6 2 0 |
4 7 1 0 |
5 8 2 0 |
5 12 1 0 |
6 14 1 0 |
7 15 2 0 |
8 16 1 0 |
9 11 1 0 |
9 18 1 0 |
10 13 1 0 |
10 18 1 0 |
11 17 1 0 |
12 15 1 0 |
13 14 1 0 |
14 16 2 0 |
15 16 1 0 |
M END">
</div>
</td>
</tr>
<tr>
<td><div code="JME.class" archive="JME.jar" width=250
height=120>
<param name="options" value="depict">
<param name="jme"
value="22 23 O 2.80 -9.04 O 4.02 -6.94 O 4.02 -11.14 C 7.65 -10.44 C 11.29 -6.94 C 12.50 -9.04 C 6.44 -11.14 C 12.50 -6.24 C 13.71 -8.34 C 6.44 -8.34 N 10.08 -9.04 N 8.86 -8.34 C 4.02 -8.34 C 11.29 -8.34 C 7.65 -9.04 C 5.23 -10.44 C 13.71 -6.94 C 5.23 -9.04 O 14.93 -6.24 C 14.93 -9.04 O 14.93 -10.44 O 16.14 -8.34 1 13 2 2 13 1 3 16 1 4 7 2 4 15 1 5 8 2 5 14 1 6 9 1 6 14 2 7 16 1 8 17 1 9 17 2 10 15 2 10 18 1 11 12 2 11 14 1 12 15 1 13 18 1 16 18 2 17 19 1 9 20 1 20 21 1 20 22 2">
</div></td>
</tr>
<tr>
<td><div code="JME.class" archive="JME.jar" width=250
height=120>
<param name="options" value="depict">
</div></td>
</tr>
<tr>
<td><div code="JME.class" archive="JME.jar" width=250
height=120>
<param name="options" value="depict">
</div></td>
</tr>
</table></td>
</tr>
</table></font>
</form>
</body>
</html>