Mercurial > repos > p.lucas > abhaddock

changeset 2:a8cda1a4b9ea draft

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Uploaded v2
author p.lucas
date Thu, 06 May 2021 09:01:30 +0000
parents 40ccca3fac6d
children 4a71ada763cd
files abhaddock_wrapper.xml
diffstat 1 files changed, 4 insertions(+), 4 deletions(-) [+]
line wrap: on
line diff
--- a/abhaddock_wrapper.xml	Thu May 06 08:47:16 2021 +0000
+++ b/abhaddock_wrapper.xml	Thu May 06 09:01:30 2021 +0000
@@ -1,9 +1,9 @@
-<tool id="Ab_haddock_format" name="Ab_haddock_format" version="1.0">
+<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[
-    conda activate Ab-HADDOCK;
-    python2.7 ab_haddock_format.py  '${input}' '${output}' '${chain}'
-    conda deactivate
+    source /home/galaxy/data/_conda/bin/activate Ab-HADDOCK;
+    python2.7 /home/galaxy/HADDOCK-antibody-antigen/ab_haddock_format.py '${input}' '${output}' ${chain};
+    source /home/galaxy/data/_conda/bin/deactivate
   ]]></command>
   <inputs>
     <param name="input" format="pdb" type="data" label="Select your PDB file."/>