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annotate spring_cross.xml @ 0:282c58535ebc draft

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"planemo upload commit 6158473dbced09024b0a805a7df2c93d47705d87"
author guerler
date Tue, 23 Mar 2021 13:42:59 +0000
parents
children efef4f6d3452
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1 <tool id="spring_cross" name="SPRING Cross" license="MIT" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="20.01">
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2 <description>reference builder</description>
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3 <macros>
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4 <import>macros.xml</import>
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5 </macros>
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6 <expand macro="requirements" />
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7 <command detect_errors="exit_code"><![CDATA[
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8 spring_cross.py
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9 @pdb_source@
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10 -o '$output'
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11 -g '$log'
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12 ]]></command>
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13 <inputs>
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14 <expand macro="pdb_source" />
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15 <expand macro="logfile" />
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16 </inputs>
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17 <outputs>
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18 <data format="tabular" name="output" label="SPRING Cross Reference" />
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19 <data format="txt" name="log" label="SPRING Cross Log">
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20 <filter>logfile</filter>
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21 </data>
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22 </outputs>
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23 <tests>
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24 <test expect_num_outputs="1">
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25 <conditional name="pdb_source">
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26 <param name="pdb_source_selector" value="history" />
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27 <param name="ffindex" value="cross/pdb.ffindex" />
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28 <param name="ffdata" value="cross/pdb.ffdata" />
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29 </conditional>
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30 <param name="logfile" value="false" />
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31 <output name="output" file="cross/reference.tabular" />
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32 </test>
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33 <test expect_num_outputs="2">
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34 <conditional name="pdb_source">
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35 <param name="pdb_source_selector" value="indexed" />
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36 <param name="pdb" value="pdb01_cross" />
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37 </conditional>
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38 <param name="logfile" value="true" />
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39 <output name="output" file="cross/reference.tabular" />
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40 </test>
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41 </tests>
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42 <help><![CDATA[
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43
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44 **What it does**
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45
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46 Creates a 2-column cross reference between a list of input chains and all interacting chains found in the provided PDB database.
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47 This reference is required as input for the SPRING min-Z calculator.
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48
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49 ]]></help>
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50 <expand macro="citations" />
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51 </tool>