Don't try to save mol2 unless run from tool interface

RBVI · Nov 23, 2023 · 223d52c · 223d52c
1 parent eabc9b7
commit 223d52c
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diff --git a/src/bundles/dock_prep/bundle_info.xml b/src/bundles/dock_prep/bundle_info.xml
@@ -1,4 +1,4 @@
-<BundleInfo name="ChimeraX-DockPrep" version="1.1.2"
+<BundleInfo name="ChimeraX-DockPrep" version="1.1.3"
 	    package="chimerax.dock_prep"
   	    minSessionVersion="1" maxSessionVersion="1">
 

diff --git a/src/bundles/dock_prep/src/cmd.py b/src/bundles/dock_prep/src/cmd.py
@@ -86,6 +86,8 @@ def dock_prep_steps(session, memorization, memorize_name, *, from_tool=False, **
     kw_dict = {}
     dp_step_needed = False
     for param, default in defaults.items():
+        if param == "write_mol2" and not from_tool:
+            continue
         val = kw.get(param, default)
         if val:
             dp_step_needed = True