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

<pise>

  <head>
    <title>MELTING</title>
    <version>4.1f</version>
    <description>enthalpie, entropy and melting temperature</description>
    <authors>N. Le Novere</authors>
    <reference>Nicolas Le Novere (2001), MELTING, computing the melting temperature of nucleic acid duplex. Bioinformatics 17(12), 1226-1227</reference>
    <category>nucleic:composition</category>
  </head>
  
  <command>melting</command>

  <parameters>

    <!-- ** Program name ** -->
    <parameter type="String" ismandatory="1" iscommand="1" ishidden="1">
      <name>melting</name>
      <attributes>
	<group>0</group>
	<format>
	  <language>perl</language>
	  <code>"melting -q -v"</code>
	</format>
      </attributes>
    </parameter>

    <!-- ** Hybridation type ** -->
    <parameter type="Excl" ismandatory="1" issimple="1">
      <name>hybridation_type</name>
      <attributes>
	<prompt>Hybridisation type (-H)</prompt>
	<format>
	  <language>perl</language>
	  <code>" -H$value"</code>
	</format>
	<group>1</group>
	<vlist>
	  <value>dnadna</value>
	  <label>Dna/Dna</label>
	  <value>dnarna</value>
	  <label>Dna/Rna</label>
	  <value>rnarna</value>
	  <label>Rna/Rna</label>
	</vlist>
      </attributes>
    </parameter>

    <!-- ** Nearest neighbor parameters file ** -->
    <parameter type="Excl" ismandatory="1" issimple="1">
      <name>nnfile</name>
      <attributes>
	<prompt>Nearest Neighbor parameters set (-A)</prompt>
	<format>
	  <language>perl</language>
	  <code>($value &amp;&amp; $value ne $vdef) ? " -A$value" : ""</code>
	</format>
	<vdef>
	  <value>default</value>
	</vdef>
	<vlist>
	  <value>default</value>
	  <label>(default)</label>
	  <value>all97a.nn</value>
	  <label>Allawi et al 1997</label>
	  <value>bre86a.nn</value>
	  <label>Breslauer et al 1986</label>
	  <value>fre86a.nn</value>
	  <label>Freier et al 1986</label>
	  <value>san96a.nn</value>
	  <label>SantaLucia et al 1996</label>
	  <value>sug95a.nn</value>
	  <label>Sugimoto et al 1995</label>
	  <value>sug96a.nn</value>
	  <label>Sugimoto et al 1996</label>
	  <value>xia98a.nn</value>
	  <label>Xia et al 1998</label>
	</vlist>
	<group>1</group>
      </attributes>
    </parameter>

    <!-- ** Sequence ** -->
    <parameter type="String" ismandatory="1" issimple="1">
      <name>sequence</name>
      <attributes>
	<prompt>Sequence string (-S)</prompt>
	<format>
	  <language>perl</language>
	  <code>" -S$value"</code>
	</format>
	<group>1</group>
      </attributes>
    </parameter>

    <!-- ** Complementary sequence ** -->
    <parameter type="String">
      <name>complement_string</name>
      <attributes>
	<prompt>Complementary sequence (-C)</prompt>
	<format>
	  <language>perl</language>
	  <code>$value ? " -C$value" : ""</code>
	</format>
	<group>1</group>
      </attributes>
    </parameter>

    <!-- ** Salt concentration ** -->
    <parameter type="Float" ismandatory="1" issimple="1">
      <name>salt_concentratio</name>
      <attributes>
	<prompt>Salt concentration (0.0 &lt; x &lt; 10.0 M) (-N)</prompt>
	<format>
	  <language>perl</language>
	  <code>" -N$value"</code>
	</format>
	<group>1</group>
	<scalemin> <value>0</value> </scalemin>
	<scalemax> <value>10</value> </scalemax>
      </attributes>
    </parameter>

    <!-- ** Nucleic acid concentration ** -->
    <parameter type="Float" ismandatory="1" issimple="1">
      <name>nucacid_concentration</name>
      <attributes>
	<prompt>Nucleic acid concentration in excess (0.0 &lt; x &lt; 0.1 M) (-P)</prompt>
	<format>
	  <language>perl</language>
	  <code>$value ? " -P$value" : ""</code>
	  <language>python</language>
	  <code>("", " -P" + str(value))[value &lt; 0.0]</code>
	</format>
	<group>1</group>
	<scalemin> <value>0</value> </scalemin>
	<scalemax> <value>0.1</value> </scalemax>
      </attributes>
    </parameter>

    <!-- ** Nucleic acid correction factor ** -->
    <parameter type="Float">
      <name>correction_factor</name>
      <attributes>
	<prompt>Nucleic acid correction factor (-F)</prompt>
	<format>
	  <language>perl</language>
	  <code>$value ? " -F$value" : ""</code>
	</format>
	<group>1</group>
      </attributes>
    </parameter>

    <!-- ** Salt correction ** -->
    <parameter type="Excl">
      <name>salt_correction</name>
      <attributes>
	<prompt>Salt correction (-K)</prompt>
	<format>
	  <language>perl</language>
	  <code>$value ? " -K$value" : ""</code>
	</format>
	<group>1</group>
	<vlist>
	  <value>wet91a</value>
	  <label>Wetmur 1991</label>
	  <value>san96a</value>
	  <label>SantaLucia et al. 1996</label>
	  <value>san98a</value>
	  <label>SantaLucia 1998</label>
	</vlist>
      </attributes>
    </parameter>

    <!-- ** Approximative computation ** -->
    <parameter type="Switch">
      <name>approx</name>
      <attributes>
	<prompt>Force approximative temperature computation (-x)</prompt>
	<format>
	  <language>perl</language>
	  <code>$value ? " -x" : ""</code>
	</format>
	<group>1</group>
      </attributes>
    </parameter>

    <parameter type="Switch">
      <name>dangling_ends</name>
      <attributes>
        <prompt>parameters for dangling ends: dnadnade.nn</prompt>
	<format>
	  <language>perl</language>
	  <code>($value)? " -Ddnadnade.nn " : ""</code>
	</format>
	<group>1</group>
      </attributes>
    </parameter>	

     <parameter type="Switch">
      <name>mismatches</name>
      <attributes>
        <prompt>nn parameters for mismatches: dnadnamm.nn</prompt>
	<format>
	  <language>perl</language>
	  <code>($value)? " -Mdnadnamm.nn " : ""</code>
	</format>
	<group>1</group>
      </attributes>
    </parameter>	

  </parameters>

</pise>

