Dear Jmol users,
I have unfortunately been unable to get Jmol to work directly with
my database. Which I believe is due to my mol files being jme mol files.
So I have wrote some php to convert the files from mol to xyz format and
load it directly. Now however I'm getting a 400 error (server error) I
cannot see what is wrong with the code any help would be greatly
appreciate it.
Below is my coding.
<html>
<head>
<title>Metabolite</title>
<meta http-equiv="Content-Style-Type" content="text/css">
<link href="style.css" rel="stylesheet" type="text/css">
<script src="java/jmol/Jmol.js"></script>
</head>
### some more code here in file.....
<tr><td>Structure:</td><td colspan="4">
<?php
$filename='struct.mol';
if (is_writable($filename)) {
if (!$handle = fopen($filename, 'w')) {
echo "Cannot open file ($filename)";
exit;
}
// Write $somecontent to our opened file.
if (fwrite($handle, $data['mol']) === FALSE) {
echo "Cannot write to file ($filename)";
exit;
}
fclose($handle);
}
$cmd="babel -imol struct.mol -oxyz struct.xyz -h";
system("$cmd");
?>
<script type="text/javascript">
jmolInitialize("java/jmol");
jmolApplet(300, "load ../../struct.xyz");
</script>
<?php
if (file_exists("struct.xyz")){
unlink("struct.xyz");
}
if (file_exists($filename)){
unlink($filename);
}
?>
<br>
--
Research Technician
Mass Spectrometry
o The
/
o Scripps
\
o Research
/
o Institute
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