Mercurial > repos > p.lucas > abhaddock

comparison abhaddock_wrapper.xml @ 8:59e22a98a99f draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author p.lucas
date Thu, 06 May 2021 09:34:40 +0000
parents 9a64e7a9c3aa
children
comparison
equal deleted inserted replaced
7:9a64e7a9c3aa 8:59e22a98a99f
1 <tool id="ABHADDOCK" name="ABHADDOCK" version="0"> 1 <tool id="ABHADDOCK" name="ABHADDOCK" version="1">
2 <description>Using ab_haddock_format.py after ANARCI.</description> 2 <description>Using ab_haddock_format.py after ANARCI.</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 Ab-HADDOCK;
5 python2.7 /home/galaxy/HADDOCK-antibody-antigen/ab_haddock_format.py '${input}' '${output}' ${chain}; 5 python2.7 /home/galaxy/HADDOCK-antibody-antigen/ab_haddock_format.py '${input}' '${output1}' ${chain} > '${output2}';
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."/>
10 <param name="chain" type="text" label="Chain id to use." help="Chain id to use for the HADDOCK-formatted PDB structure."/> 10 <param name="chain" type="text" label="Chain id to use." help="Chain id to use for the HADDOCK-formatted PDB structure."/>
11 </inputs> 11 </inputs>
12 <outputs> 12 <outputs>
13 <data name="output" format="pdb" /> 13 <data name="output1" format="pdb" />
14 <data name="output2" format="txt" />
14 </outputs> 15 </outputs>
15 <help> 16 <help>
16 usage: ab_haddock_format.py [-h] pdb out chain 17 usage: ab_haddock_format.py [-h] pdb out chain
17 18
18 Formats the antibody to fit the HADDOCK requirements with the 19 Formats the antibody to fit the HADDOCK requirements with the