split up pdb tools

ur-whitelab · Feb 24, 2024 · 1a1829e · 1a1829e
1 parent 2ad98bf
commit 1a1829e
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Showing 7 changed files with 995 additions and 1,735 deletions.
diff --git a/mdagent/tools/base_tools/__init__.py b/mdagent/tools/base_tools/__init__.py
@@ -10,7 +10,7 @@
     SpecializedCleanTool,
 )
 from .preprocess_tools.packing import PackMolTool
-from .preprocess_tools.pdb_tools import ProteinName2PDBTool, SmallMolPDB, get_pdb
+from .preprocess_tools.pdb_get import ProteinName2PDBTool, SmallMolPDB, get_pdb
 from .simulation_tools.create_simulation import ModifyBaseSimulationScriptTool
 from .simulation_tools.setup_and_run import (
     InstructionSummary,

diff --git a/mdagent/tools/base_tools/preprocess_tools/__init__.py b/mdagent/tools/base_tools/preprocess_tools/__init__.py
@@ -6,7 +6,7 @@
     SpecializedCleanTool,
 )
 from .packing import PackMolTool
-from .pdb_tools import ProteinName2PDBTool, SmallMolPDB, get_pdb
+from .pdb_get import ProteinName2PDBTool, SmallMolPDB, get_pdb
 
 __all__ = [
     "AddHydrogensCleaningTool",