Update code/add_sasa.py

code/add_sasa.py

@@ -8,6 +8,7 @@ import os
 from pathlib import Path
 import gzip
 import shutil
+from huggingface_hub import HfApi
 
 
 
@@ -43,6 +44,12 @@ def run_freesasa(infile, outfile, include_hetatms=True, outdir=None, force_rerun
                                        stderr=subprocess.PIPE,
                                        shell=True)
             out, err = command.communicate()
+    api = HfApi()
+    api.upload_file(
+        path_or_fileobj=outfile,
+        path_in_repo="out_files/pdb/freesasa_files",
+        repo_id="fatmacankara/ASCARIS",
+        repo_type="space")
     return outfile
 
 def calculate_freesasa(ID, model_num, existing_free_sasa, path_to_input,path_to_output_files, file_type = 'gzip'):