[bugfix] receptor processor option

dptech-corp · Apr 16, 2024 · 62eb726 · 62eb726
1 parent 378ef40
commit 62eb726
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Showing 2 changed files with 0 additions and 3 deletions.
diff --git a/unidock_tools/src/unidock_tools/modules/protein_prep/receptor_preprocessor_runner.py b/unidock_tools/src/unidock_tools/modules/protein_prep/receptor_preprocessor_runner.py
@@ -10,7 +10,6 @@
 class ReceptorPreprocessorRunner(object):
     def __init__(self,
                  protein_pdb_file_name,
-                 protein_conf_name='protein_conf_0',
                  kept_ligand_resname_list=None,
                  prepared_hydrogen=True,
                  preserve_original_resname=True,
@@ -21,7 +20,6 @@ def __init__(self,
                  working_dir_name='.'):
 
         self.protein_pdb_file_name = protein_pdb_file_name
-        self.protein_conf_name = protein_conf_name
         self.kept_ligand_resname_list = kept_ligand_resname_list
         self.prepared_hydrogen = prepared_hydrogen
         self.preserve_original_resname = preserve_original_resname

diff --git a/...tools/src/unidock_tools/modules/protein_prep/receptor_topology/docking_grids_generator.py b/...tools/src/unidock_tools/modules/protein_prep/receptor_topology/docking_grids_generator.py
@@ -214,7 +214,6 @@ def generate_docking_grids(self):
         self.__prepare_protein_pdb_file__(self.protein_pdb_file_name, protein_output_pdb_file_name)
 
         protein_pdbqt_writer = ProteinPDBQTWriter(protein_output_pdb_file_name,
-                                                  #atom_type_template='amber',
                                                   working_dir_name=self.working_dir_name)
 
         protein_pdbqt_writer.write_protein_pdbqt_file()