Repository 'alphafold2'
hg clone https://toolshed.g2.bx.psu.edu/repos/galaxy-australia/alphafold2

Changeset 22:3f188450ca4f (2024-10-30)
Previous changeset 21:e7f1b552a695 (2024-10-29)
Commit message:
planemo upload for repository https://github.com/usegalaxy-au/tools-au commit d626bb28203543a70d3fc60d662cb054bc3cef7c
modified:
alphafold.xml
scripts/outputs.py
b
diff -r e7f1b552a695 -r 3f188450ca4f alphafold.xml
--- a/alphafold.xml Tue Oct 29 02:15:36 2024 +0000
+++ b/alphafold.xml Wed Oct 30 21:46:34 2024 +0000
b
@@ -3,7 +3,7 @@
     <macros>
       <token name="@TOOL_VERSION@">2.3.2</token>
       <token name="@TOOL_MINOR_VERSION@">2.3</token>
-      <token name="@VERSION_SUFFIX@">1</token>
+      <token name="@VERSION_SUFFIX@">2</token>
       <import>macro_output.xml</import>
       <import>macro_test_output.xml</import>
     </macros>
b
diff -r e7f1b552a695 -r 3f188450ca4f scripts/outputs.py
--- a/scripts/outputs.py Tue Oct 29 02:15:36 2024 +0000
+++ b/scripts/outputs.py Wed Oct 30 21:46:34 2024 +0000
b
@@ -113,12 +113,13 @@
 
     def _sniff_model_preset(self) -> bool:
         """Check if the run was multimer or monomer."""
-        with open(self.workdir / 'relax_metrics.json') as f:
-            if '_multimer_' in f.read():
-                return PRESETS.multimer
-            if '_ptm_' in f.read():
-                return PRESETS.monomer_ptm
-        return PRESETS.monomer
+        for path in self.workdir.glob('*.pkl'):
+            if 'feature' not in path.name:
+                if '_multimer_' in path.name:
+                    return PRESETS.multimer
+                if '_ptm_' in path.name:
+                    return PRESETS.monomer_ptm
+                return PRESETS.monomer
 
 
 class ExecutionContext: