comparison abhaddock_wrapper.xml @ 2:a8cda1a4b9ea draft

Uploaded v2

1:40ccca3fac6d

<tool id="Ab_haddock_format" name="Ab_haddock_format" version="1.0">
  <description>Using ab_haddock_format.py after ANARCI.</description>
  <command detect_errors="exit_code"><![CDATA[
    conda activate Ab-HADDOCK;
    python2.7 ab_haddock_format.py  '${input}' '${output}' '${chain}'
    conda deactivate
  ]]></command>
  <inputs>
    <param name="input" format="pdb" type="data" label="Select your PDB file."/>
    <param name="chain" type="text" label="Chain id to use." help="Chain id to use for the HADDOCK-formatted PDB structure."/>
  </inputs>

2:a8cda1a4b9ea

<tool id="Ab_haddock_format" name="Ab_haddock_format" version="2.0">
  <description>Using ab_haddock_format.py after ANARCI.</description>
  <command detect_errors="exit_code"><![CDATA[
    source /home/galaxy/data/_conda/bin/activate Ab-HADDOCK;
    python2.7 /home/galaxy/HADDOCK-antibody-antigen/ab_haddock_format.py '${input}' '${output}' ${chain};
    source /home/galaxy/data/_conda/bin/deactivate
  ]]></command>
  <inputs>
    <param name="input" format="pdb" type="data" label="Select your PDB file."/>
    <param name="chain" type="text" label="Chain id to use." help="Chain id to use for the HADDOCK-formatted PDB structure."/>
  </inputs>