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comparison spring_cross.xml @ 0:dbbcc7cd889f draft

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"planemo upload commit 6158473dbced09024b0a805a7df2c93d47705d87"
author guerler
date Tue, 23 Mar 2021 13:55:42 +0000
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children 3175a61346e8
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1 <tool id="spring_cross" name="SPRING Cross" license="MIT" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="20.01">
2 <description>reference builder</description>
3 <macros>
4 <import>macros.xml</import>
5 </macros>
6 <expand macro="requirements" />
7 <command detect_errors="exit_code"><![CDATA[
8 spring_cross.py
9 @pdb_source@
10 -o '$output'
11 -g '$log'
12 ]]></command>
13 <inputs>
14 <expand macro="pdb_source" />
15 <expand macro="logfile" />
16 </inputs>
17 <outputs>
18 <data format="tabular" name="output" label="SPRING Cross Reference" />
19 <data format="txt" name="log" label="SPRING Cross Log">
20 <filter>logfile</filter>
21 </data>
22 </outputs>
23 <tests>
24 <test expect_num_outputs="1">
25 <conditional name="pdb_source">
26 <param name="pdb_source_selector" value="history" />
27 <param name="ffindex" value="cross/pdb.ffindex" />
28 <param name="ffdata" value="cross/pdb.ffdata" />
29 </conditional>
30 <param name="logfile" value="false" />
31 <output name="output" file="cross/reference.tabular" />
32 </test>
33 <test expect_num_outputs="2">
34 <conditional name="pdb_source">
35 <param name="pdb_source_selector" value="indexed" />
36 <param name="pdb" value="pdb01_cross" />
37 </conditional>
38 <param name="logfile" value="true" />
39 <output name="output" file="cross/reference.tabular" />
40 </test>
41 </tests>
42 <help><![CDATA[
43
44 **What it does**
45
46 Creates a 2-column cross reference between a list of input chains and all interacting chains found in the provided PDB database.
47 This reference is required as input for the SPRING min-Z calculator.
48
49 ]]></help>
50 <expand macro="citations" />
51 </tool>