<?xml version="1.0" encoding="ISO-8859-1" ?>
<!DOCTYPE pise SYSTEM "PARSER/pise.dtd" [
<!ENTITY emboss_init SYSTEM "XMLDIR/emboss.xml">
]>

<pise>

<head>
<title>INTERFACE</title>
<description>Reads coordinate files and writes inter-chain contact files (EMBOSS)</description>
<category>protein:3d structure</category>
<doclink>http://bioweb.pasteur.fr/docs/EMBOSS/interface.html</doclink>
</head>

<command>interface</command>

<parameters>

&emboss_init;

<parameter type="InFile" ismandatory="1" issimple="1" ishidden="0">
<name>in</name>
<attributes>
	<prompt>Coordinate file for input (embl-like format) (-in)</prompt>
	<format>
		<language>perl</language>
		<code>" -in=$value"</code>
	</format>
	<group>1</group>
</attributes>
</parameter>

<parameter type="OutFile" ismandatory="1" issimple="1" ishidden="0">
<name>out</name>
<attributes>
	<prompt>Contact file for output (-out)</prompt>
	<vdef>
		<value>test.con</value>
	</vdef>
	<format>
		<language>perl</language>
		<code>" -out=$value"</code>
	</format>
	<group>2</group>
</attributes>
</parameter>

<parameter type="Float" ismandatory="1" issimple="1" ishidden="0">
<name>thresh</name>
<attributes>
	<prompt>Threshold contact distance (-thresh)</prompt>
	<vdef>
		<value>6.0</value>
	</vdef>
	<format>
		<language>perl</language>
		<code>" -thresh=$value"</code>
	</format>
	<group>3</group>
</attributes>
</parameter>

<parameter type="Float" ismandatory="0" issimple="0" ishidden="0">
<name>ignore</name>
<attributes>
	<prompt>Threshold ignore distance (-ignore)</prompt>
	<vdef>
		<value>20.0</value>
	</vdef>
	<format>
		<language>perl</language>
		<code>(defined $value &amp;&amp; $value != $vdef)? " -ignore=$value" : ""</code>
	</format>
	<group>4</group>
	<comment>
		<value>If any two atoms from two different residues are at least this distance apart then no futher inter-atomic contacts will be checked for for that residue pair . This speeds the calculation up considerably.</value>
	</comment>
</attributes>
</parameter>

<parameter type="String" ismandatory="0" issimple="0" ishidden="0">
<name>vdwf</name>
<attributes>
	<prompt>Name of data file with van der Waals radii (-vdwf)</prompt>
	<vdef>
		<value>Evdw.dat</value>
	</vdef>
	<format>
		<language>perl</language>
		<code>($value &amp;&amp; $value ne $vdef)? " -vdwf=$value" : ""</code>
	</format>
	<group>5</group>
</attributes>
</parameter>

<parameter type="OutFile" ismandatory="0" issimple="0" ishidden="0">
<name>conerrf</name>
<attributes>
	<prompt>Name of log file for the build (-conerrf)</prompt>
	<vdef>
		<value>interface.log</value>
	</vdef>
	<format>
		<language>perl</language>
		<code>($value &amp;&amp; $value ne $vdef)? " -conerrf=$value" : ""</code>
	</format>
	<group>6</group>
</attributes>
</parameter>

<parameter type="String" ishidden="1">
<name>auto</name>
<attributes>
	<format>
		<language>perl</language>
		<code>" -auto -stdout"</code>
	</format>
	<group>7</group>
</attributes>
</parameter>

</parameters>
</pise>
