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
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HTML
<HTML>
<HEAD>
<TITLE>JME Example 1</TITLE>
<script type="text/javascript" language="javascript"
src="../jsme/jsme.nocache.js"></script>
<SCRIPT LANGUAGE="JavaScript">
function getSmiles() {
var drawing = document.JME.smiles();
document.form.smi.value = drawing;
}
function getJmeFile() {
var jme = document.JME.jmeFile();
document.form.jme_output.value = jme;
}
function getMolFile() {
var mol = document.JME.molFile();
document.form.mol_output.value = mol;
}
function processJme() {
document.JME.readMolecule(document.form.jme_output.value);
}
function useMol() {
document.JME.readMolFile(document.form.mol_output.value);
}
function readMolecule() {
var jme = "16 17 C 7.37 -8.99 C 7.37 -7.59 C 6.16 -6.89 C 4.95 -7.59 C 4.95 -8.99 C 6.16 -9.69 N 8.58 -6.89 C 8.58 -5.49 C 7.37 -4.79 O 6.16 -5.49 C 9.80 -7.59 O 9.80 -8.99 C 11.01 -6.89 Cl 12.22 -7.59 Cl 11.01 -5.49 C 9.80 -4.79 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 3 10 1 2 7 1 7 11 1 11 12 2 11 13 1 13 14 1 13 15 1 8 16 1";
document.JME.readMolecule(jme);
}
function readMultipart() {
var jme = "9 9 C 6.68 -7.15 C 5.47 -6.45 C 4.26 -7.15 C 4.26 -8.55 C 5.47 -9.25 C 6.68 -8.55 C 5.47 -5.05 O- 6.68 -4.35 O 4.26 -4.35 1 2 1 2 3 2 3 4 1 4 5 2 5 6 1 6 1 2 2 7 1 7 8 1 7 9 2|1 0 Na+ 12.21 -6.61";
document.JME.readMolecule(jme)
}
function readReaction() {
var jme = "3 2 C:1 1.41 -7.12 O:2 1.41 -5.72 Cl 2.63 -7.82 1 2 2 1 3 1|3 2 N:3 5.72 -6.78 C:4 7.12 -6.78 H:5 5.02 -7.99 1 2 1 1 3 1 >> 5 4 C:1 13.51 -6.40 O:2 13.51 -5.00 N:3 14.72 -7.10 C:4 15.94 -6.40 H:5 14.71 -8.50 1 2 2 1 3 1 3 4 1 3 5 1";
document.JME.readMolecule(jme);
}
function openHelpWindow() {
window.open("http://www.molinspiration.com/jme/help/jme2008hints.html","jmehelp","toolbar=no,menubar=no,scrollbars=yes,resizable=yes,width=510,height=675,left=400,top=20");
}
</SCRIPT>
</HEAD>
<BODY BGCOLOR="#FFFFFF">
<center>
<p>
<H2>Example of Java - JavaScript communication and data export /
import</H2>
<P>
<table border=0 width="100%">
<tr>
<td align="center">
<table>
<tr>
<td>
<div code="JME.class" name="JME" archive="JME.jar" width=360
height=315>You have to enable Java and JavaScritpt on
your machine !</div>
</td>
</tr>
<tr>
<td align="right"><a href="javascript:openHelpWindow();">JME
Help</a></td>
</tr>
</table>
</td>
<td align="center">
<FORM METHOD="POST" NAME="form" ONSUBMIT="return false;">
<p>
<CENTER>
<b>smiles</b><BR> <INPUT TYPE="text" NAME="smi" SIZE=48"><BR>
<p>
<b>jme string</b><BR>
<TEXTAREA NAME="jme_output" ROWS=1 COLS=40></TEXTAREA>
<p>
<b>mol file</b><BR>
<TEXTAREA NAME="mol_output" ROWS=5 COLS=40></TEXTAREA>
<P>
<INPUT TYPE="button" VALUE="Get SMILES" onClick="getSmiles()">
<INPUT TYPE="button" VALUE="Get JME string"
onClick="getJmeFile()"> <INPUT TYPE="button"
VALUE="Get mol file" onClick="getMolFile()">
<p>
<INPUT TYPE="button" VALUE="Use JME" onClick="processJme()">
<INPUT TYPE="button" VALUE="Use mol file"
onClick="useMol()">
<P>
<INPUT TYPE="button" VALUE="Clear Editor"
onClick="document.JME.reset()"> <INPUT
TYPE="reset" VALUE="Clear Fields">
</CENTER>
</FORM>
</td>
</tr>
</table>
<FORM METHOD="POST" NAME="for2m" ONSUBMIT="return false;">
<INPUT TYPE="button" VALUE="Read Molecule" onClick="readMolecule()">
<INPUT TYPE="button" VALUE="Read Multipart Structure"
onClick="readMultipart()"> <INPUT TYPE="button"
VALUE="Read Reaction with Mapping" onClick="readReaction()">
</form>
<p>
<TABLE BORDER=1>
<CAPTION>
<B>Keyboard shortcuts</B>
</CAPTION>
<TR>
<TD><FONT SIZE=2>bonds -,=,#</FONT></TD>
<TD><FONT SIZE=2>rings 3..8, Ph is 1, furyl 0</FONT></TD>
<TD><FONT SIZE=2>atoms C,N,O,P,S,F,L,B,I,H</FONT></TD>
<TD><FONT SIZE=2>groups t - tert.butyl, ft - CF3, y -
nitro, a - COOH, z - SO3H</FONT></TD>
</TR>
<TR>
<TD><FONT SIZE=2>d - delete</FONT></TD>
<TD COLSPAN=3><FONT SIZE=2>Esc - return to the standard
state (C, single bond)</FONT></TD>
<TR>
<TD COLSPAN=4><FONT SIZE=2>molecule may by moved by
"dragging" free space and rotated by pressing concurrently also
the shift key</FONT></TD>
</TR>
</TABLE>
</center>
<P>
</BODY>
</HTML>