added relaxation argument (#146)

Co-authored-by: zhuww <zhuww@sugon.com>

inference.py

@@ -306,6 +306,7 @@ def inference_multimer_model(args):
     with open(unrelaxed_output_path, 'w') as f:
         f.write(protein.to_pdb(unrelaxed_protein))
 
+    if(args.relaxation):
         amber_relaxer = relax.AmberRelaxation(
             use_gpu=True,
             **config.relax,
@@ -445,6 +446,7 @@ def inference_monomer_model(args):
     with open(unrelaxed_output_path, 'w') as f:
         f.write(protein.to_pdb(unrelaxed_protein))
 
+    if(args.relaxation):
         amber_relaxer = relax.AmberRelaxation(
             use_gpu=True,
             **config.relax,
@@ -494,6 +496,9 @@ if __name__ == "__main__":
                         help="""Path to model parameters. If None, parameters are selected
              automatically according to the model name from 
              ./data/params""")
+    parser.add_argument(
+        "--relaxation", action="store_false", default=False,
+    )
     parser.add_argument("--cpus",
                         type=int,
                         default=12,