Mercurial > repos > guerler > spring_cross
diff spring_cross.xml @ 0:dbbcc7cd889f draft
"planemo upload commit 6158473dbced09024b0a805a7df2c93d47705d87"
author | guerler |
---|---|
date | Tue, 23 Mar 2021 13:55:42 +0000 |
parents | |
children | 3175a61346e8 |
line wrap: on
line diff
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/spring_cross.xml Tue Mar 23 13:55:42 2021 +0000 @@ -0,0 +1,51 @@ +<tool id="spring_cross" name="SPRING Cross" license="MIT" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="20.01"> + <description>reference builder</description> + <macros> + <import>macros.xml</import> + </macros> + <expand macro="requirements" /> + <command detect_errors="exit_code"><![CDATA[ + spring_cross.py + @pdb_source@ + -o '$output' + -g '$log' + ]]></command> + <inputs> + <expand macro="pdb_source" /> + <expand macro="logfile" /> + </inputs> + <outputs> + <data format="tabular" name="output" label="SPRING Cross Reference" /> + <data format="txt" name="log" label="SPRING Cross Log"> + <filter>logfile</filter> + </data> + </outputs> + <tests> + <test expect_num_outputs="1"> + <conditional name="pdb_source"> + <param name="pdb_source_selector" value="history" /> + <param name="ffindex" value="cross/pdb.ffindex" /> + <param name="ffdata" value="cross/pdb.ffdata" /> + </conditional> + <param name="logfile" value="false" /> + <output name="output" file="cross/reference.tabular" /> + </test> + <test expect_num_outputs="2"> + <conditional name="pdb_source"> + <param name="pdb_source_selector" value="indexed" /> + <param name="pdb" value="pdb01_cross" /> + </conditional> + <param name="logfile" value="true" /> + <output name="output" file="cross/reference.tabular" /> + </test> + </tests> + <help><![CDATA[ + +**What it does** + +Creates a 2-column cross reference between a list of input chains and all interacting chains found in the provided PDB database. +This reference is required as input for the SPRING min-Z calculator. + + ]]></help> + <expand macro="citations" /> +</tool>