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changeset 8:59e22a98a99f draft default tip

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Uploaded
author p.lucas
date Thu, 06 May 2021 09:34:40 +0000
parents 9a64e7a9c3aa
children
files abhaddock_wrapper.xml
diffstat 1 files changed, 4 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/abhaddock_wrapper.xml	Thu May 06 09:21:22 2021 +0000
+++ b/abhaddock_wrapper.xml	Thu May 06 09:34:40 2021 +0000
@@ -1,8 +1,8 @@
-<tool id="ABHADDOCK" name="ABHADDOCK" version="0">
+<tool id="ABHADDOCK" name="ABHADDOCK" version="1">
   <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}' ${chain};
+    python2.7 /home/galaxy/HADDOCK-antibody-antigen/ab_haddock_format.py '${input}' '${output1}' ${chain} > '${output2}';
     source /home/galaxy/data/_conda/bin/deactivate
   ]]></command>
   <inputs>
@@ -10,7 +10,8 @@
     <param name="chain" type="text" label="Chain id to use." help="Chain id to use for the HADDOCK-formatted PDB structure."/>
   </inputs>
   <outputs>
-    <data name="output" format="pdb" />
+    <data name="output1" format="pdb" />
+    <data name="output2" format="txt" />
   </outputs>
   <help>
 usage: ab_haddock_format.py [-h] pdb out chain