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comparison pdbtidy_wrapper.xml @ 1:9bef41a065e4 draft default tip

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author p.lucas
date Thu, 06 May 2021 12:49:22 +0000
parents a27959187855
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0:a27959187855 1:9bef41a065e4
1 <tool id="PDBTIDY" name="PDBTIDY" version="0"> 1 <tool id="PDBTIDY" name="PDBTIDY" version="1">
2 <description>Using pdb_tidy tools after ab_haddock_format.py.</description> 2 <description>Using pdb_tidy tools after ab_haddock_format.py.</description>
3 <command detect_errors="exit_code"><![CDATA[ 3 <command detect_errors="exit_code"><![CDATA[
4 source /home/galaxy/data/_conda/bin/activate Ab-HADDOCK; 4 source /home/galaxy/data/_conda/bin/activate pdbtools;
5 pdb_tidy '${input}' > '${output}'; 5 pdb_tidy '${input}' > '${output}';
6 source /home/galaxy/data/_conda/bin/deactivate 6 source /home/galaxy/data/_conda/bin/deactivate
7 ]]></command> 7 ]]></command>
8 <inputs> 8 <inputs>
9 <param name="input" format="pdb" type="data" label="Select your PDB file."/> 9 <param name="input" format="pdb" type="data" label="Select your PDB file."/>