<?xml version="1.0" encoding="ISO-8859-1" ?>
<!DOCTYPE pise SYSTEM "PARSER/pise.dtd">

<pise>

<head>
    <title>homology</title>
    <description>SCMF Homology Modelling Program</description>
    <authors>P. Koehl, M. Delarue</authors>
    <reference>P. Koehl and M. Delarue. Nature Structural Biology. 2:163-169 (1995). </reference>
    <category>protein:3d structure</category>
</head>


<command>homology</command>

<parameters>

<parameter iscommand="1" ishidden="1" type="String">
<name>homology</name>
<attributes>

	<format>
		<language>perl</language>
		<code> "homology.perl &lt; params" </code>
	</format>
	<group>0</group>

</attributes>
</parameter>

<parameter type="Results">
<name>result_files</name>
<attributes>

	<filenames>params *.info *.proba *.frame *.log model*</filenames>

</attributes>
</parameter>

<parameter type="Results">
<name>pdb_file</name>
<attributes>

	<filenames>*.pdb</filenames>

</attributes>
</parameter>

<parameter ismandatory="1" issimple="1" type="InFile">
<name>pdbfile</name>
<attributes>

	<prompt>PDB data for the template protein</prompt>
	<format>
		<language>perl</language>
		<code>"$value\\n"</code>
	</format>
	<group>1</group>
	<paramfile>params</paramfile>
	<pipe>
		<pipetype>pdbfile</pipetype>
			<language>perl</language>
			<code>1</code>
	</pipe>

</attributes>
</parameter>

<parameter ismandatory="1" issimple="1" type="String">
<name>model_name</name>
<attributes>

	<prompt>Name of the model protein to be built</prompt>
	<format>
		<language>perl</language>
		<code>"$value\\n"</code>
	</format>
	<vdef><value>model</value></vdef>
	<group>2</group>
	<comment>
		<value>The file named MODEL.pdb will contain the model protein coordinates (where MODEL is the chosen name of the model).</value>
	</comment>
	<paramfile>params</paramfile>

</attributes>
</parameter>

<parameter ismandatory="1" issimple="1" type="Sequence">
<name>alignment</name>
<attributes>

	<prompt>Pairwise sequence alignment of template and model (MSF format preferred)</prompt>
	<format>
		<language>perl</language>
		<code>"$value\\n"</code>
	</format>
	<group>3</group>
	<comment>
		<value>The template correspond to the molecule described in the PDB data, the model is the molecule whose structure is to be be computed.</value>
		<value>You must provide an alignment in this order:</value>
		<value>1st sequence: template</value>
		<value>2nd sequence: protein to model</value>
	</comment>
	<seqfmt>
		<value>15</value>
	</seqfmt>
	<paramfile>params</paramfile>
	<pipe>
		<pipetype>readseq_ok_alig</pipetype>
			<language>perl</language>
			<code>1</code>
	</pipe>

</attributes>
</parameter>

<parameter ismandatory="1" type="Float">
<name>cycles</name>
<attributes>

	<prompt>Total number of cycles for SCMF refinement</prompt>
	<format>
		<language>perl</language>
		<code>"$value\\n"</code>
	</format>
	<vdef><value>30</value></vdef>
	<group>5</group>
	<comment>
		<value>30 or 40 should be enough most of the time.</value>
	</comment>
	<paramfile>params</paramfile>

</attributes>
</parameter>

<parameter ismandatory="1" type="Float">
<name>lambda</name>
<attributes>

	<prompt>Lambda for SCMF updates</prompt>
	<format>
		<language>perl</language>
		<code>"$value\\n"</code>
	</format>
	<vdef><value>0.1</value></vdef>
	<group>6</group>
	<comment>
		<value>Enter 0.1 or 0.2</value>
	</comment>
	<paramfile>params</paramfile>

</attributes>
</parameter>


</parameters>
</pise>
