--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/rnaduplex.xml	Wed Oct 05 04:59:23 2016 -0400
@@ -0,0 +1,85 @@
+<tool id="veinnarna_rnaduplex" name="@EXECUTABLE@" version="@VERSION@.0">
+    <description>Compute the structure upon hybridization of two RNA strands</description>
+    <macros>
+        <token name="@EXECUTABLE@">RNAduplex</token>
+        <import>macros.xml</import>
+    </macros>
+    <expand macro="requirements" />
+    <expand macro="stdio" />
+    <expand macro="version_command" />
+    <command>
+<![CDATA[
+        RNAduplex < '$input' > '$tabularFile'
+        -T$temperature -d$dangling --deltaEnergy=$denergy
+        #if $varExists('$advancedOptions.noconv')
+            $advancedOptions.noconv
+            $advancedOptions.noLP
+            $advancedOptions.noGU
+            $advancedOptions.noClosingGU
+            $advancedOptions.noTetra
+            #if $advancedOptions.nsp
+                --nsp='$advancedOptions.nsp'
+            #end if
+        #end if
+]]>
+    </command>
+    <inputs>
+        <param format="fasta" name="input" type="data" label="Fasta file"/>
+        <param name="temperature" type="float" value="37.0" label="temperature [°C]" help="-T"/>
+        <param name="dangling" type="select" label="how to treat dangling end energies" help="-d">
+            <option value="0">0: ignore dangling ends</option>
+            <option value="1">1: unpaired bases participate in one dangling end only</option>
+            <option value="2" selected="True">2: unpaired bases participate in all dangling ends</option>
+            <option value="3">3: allow coaxial stacking</option>
+        </param>
+        <param argument="--denergy" type="float" value="0.0" label="delta energy range [kcal/mol] for suboptimal structures" help=""/>
+        <param argument="--sorted" type="boolean" truevalue="--sorted" falsevalue="" checked="false" label="Sort by energy" help=""/>
+        <conditional name="advancedOptions">
+            <param name="advancedSelector" type="select" label="advanced options">
+                <option value="basic">basic Options</option>
+                <option value="advanced">advanced Options</option>
+            </param>
+            <when value="advanced">
+                <param argument="--noconv" type="boolean" truevalue="--noconv" falsevalue="" checked="false" label="No converstion from T->U" help=""/>
+                <param argument="--noLP" type="boolean" truevalue="--noLP" falsevalue="" checked="false" label="No lonely pairs" help="don't allow lonely pairs."/>
+                <param argument="--noGU" type="boolean" truevalue="--noGU" falsevalue="" checked="false" label="No GU pairing" help="don't allow pairing of G and U."/>
+                <param argument="--noClosingGU" type="boolean" truevalue="--noClosingGU" falsevalue="" checked="false" label="No GU pairing at the ends" help="don't allow pairing of G and U at the ends of helices."/>
+                <param argument="--noTetra" type="boolean" truevalue="--noTetra" falsevalue="" checked="false" label="No stabilization for loops, hairpins etc." help=""/>
+                <param argument="--nsp" type="text" value="" label="Allow other pairs in addition to the usual AU,GC,and GU pairs."
+                   help="Its argument is a comma separated list of additionally allowed pairs. If the first character is '-' then AB will imply that AB and BA are allowed pairs. e.g. RNAfold -nsp -GA  will allow GA and AG pairs. Nonstandard pairs are given 0 stacking energy."/>
+            </when>
+            <when value="basic">
+            </when>
+        </conditional>
+    </inputs>
+    <outputs>
+        <data format="txt" name="tabularFile"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="input" value="rnaduplex_input1.fa"/>
+            <output name="out_file" file="rnaduplex_result1.txt"/>
+        </test>
+    </tests>
+    <help>
+<![CDATA[
+**RNAduplex**
+RNA duplex reads two RNA sequences and computes optimal and suboptimal secondary structures for their hybridization. The calculation is simplified by allowing only inter−molecular base pairs, for the general case use RNAcofold. The computed optimal and suboptimal structure are written to stdout, one structure per line. Suboptimal structures are computed with energy in a certain range of the optimum (kcal/mol). Default is calculation of mfe structure only.
+
+-----
+
+**Input format**
+
+RNAduplex requires one input file in Fasta format. The secondary strucures will be calculated pairwise: 1st sequence with 2nd sequence, 3rd sequence with 4th sequence, etc.
+
+------
+
+**Outputs**
+
+Each line consist of: The structure in dot bracket format with a "&" separating the two strands. The range of the structure in the two sequences in the format "from,to : from,to"; the energy of duplex structure in kcal/mol. The format is especially useful for computing the hybrid structure between a small probe sequence and a long target sequence.
+
+
+]]>
+    </help>
+    <expand macro="citations" />
+</tool>