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	<title>Debroglie&#039;s repository &#187; anafcfweb</title>
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	<description>Rpms in chemistry for centos and fedora</description>
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		<title>anafcfweb</title>
		<link>http://blog.debroglie.net/2010/03/01/anafcfweb/</link>
		<comments>http://blog.debroglie.net/2010/03/01/anafcfweb/#comments</comments>
		<pubDate>Mon, 01 Mar 2010 14:10:38 +0000</pubDate>
		<dc:creator>Pascal</dc:creator>
				<category><![CDATA[Uncategorized]]></category>
		<category><![CDATA[anafcfweb]]></category>

		<guid isPermaLink="false">http://blog.debroglie.net/?p=393</guid>
		<description><![CDATA[I wrote a small script that plot a few graphs from fcf files: Anafcfweb The script is in alpha stage with some improvements needed. I do not store the fcf/cif file on the server. However, the eps/png/pdf generated files are stored in a temp folder not publicly accessible. It&#8217;s written in pure php. The original &#8230; </p><p><a class="more-link block-button" href="http://blog.debroglie.net/2010/03/01/anafcfweb/">Continue reading &#187;</a>]]></description>
			<content:encoded><![CDATA[<p>I wrote a small script that plot a few graphs from fcf files:<br />
<a href="http://debroglie.net/anafcfweb/trunk/anafcfweb.php">Anafcfweb</a></p>
<p>The script is in alpha stage with some improvements needed. I do not store the fcf/cif file on the server. However, the eps/png/pdf generated files are stored in a temp folder not publicly accessible.</p>
<p>It&#8217;s written in pure php. The original script was in python but I ported it to php because of the poor perfomance of the cgi interface on Debroglie. I also have an opcode cache for php, so it&#8217;s much faster.</p>
<p>About the html part, the graphs are rendered with <a href="http://code.google.com/p/flot/">flot</a>. Flot is a plotting library using canvas. I tweaked it a little bit so it gives better performance with the thousands of data points that requires the graphs. Canvas is part of HTML 5 so do not expect any support in Internet explorer. The script is using a compatibility layer called excanvas for IE but it is extremely slow&#8230; </p>
<p>Everything is not rendered in canvas, so export of the graph is not possible directly. For this purpose I am generating a picture from the server with gnuplot. There is also a CSV export of the coordinates.</p>
<p>The graphs are interactive, you can peak a reflection to show all the variables, modify the weights and filter the reflections.</p>
<p>Almost everything is done via javascript and the script heavily depends on <a href="http://jquery.com/">jquery</a>.</p>
<p>The sources are here : <a href="http://trac.debroglie.net/trac/browser/anafcfweb/trunk">Anafcfweb svn</a>. </p>
<div id="attachment_396" class="wp-caption aligncenter" style="width: 310px"><a href="http://blog.debroglie.net/wp-content/uploads/2010/03/anafcfweb.png"><img src="http://blog.debroglie.net/wp-content/uploads/2010/03/anafcfweb-300x240.png" alt="anafcfweb" title="anafcfweb" width="300" height="240" class="size-medium wp-image-396" /></a><p class="wp-caption-text">Example with the normal probability plot</p></div>
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