uncommented some debug output for mcsm, pandas and numpy conflict. So temporarily resolved it by running from base env

dynamut/submit.py

@@ -60,8 +60,12 @@ with open("/home/tanu/git/Data/streptomycin/input/gid_complex.pdb", "rb") as pdb
             failed_muts.close()
 
 #%%
-def request_calculation(pdb_file, mutation_list, chain, my_email, prediction_url
-                        #, output_dir, gene_name
+def request_calculation(pdb_file, mutation_list
+                        , chain
+                        , my_email
+                        , prediction_url
+                        , output_dir
+                        , gene_name
                         , url_file):
     """
     Makes a POST request for a ligand affinity prediction.

mcsm/mcsm.py

@@ -166,6 +166,7 @@ def build_result_dict(web_result_raw):
         if len(fields) > 1:  # since Mutaton information is empty
             dict_entry = dict([(x, y) for x, y in zip(fields[::2], fields[1::2])])
         result_dict.update(dict_entry)
+    print(result_dict)
     return result_dict
 #%%
 #=======================================================================

mcsm/run_mcsm.py

@@ -163,7 +163,7 @@ def get_results():
     output_df = pd.DataFrame()
     url_counter = 1 # HURR DURR COUNT STARTEDS AT ONE1`!1
     success_counter = 1
-    infile_len = os.popen('wc -l < %s' % result_urls).read() # quicker than using Python :-) #FIXME filenme (infile_urls)
+    infile_len = os.popen('wc -l < %s' % result_urls).read() # quicker than using Python :-)
 
     print('Total URLs:', infile_len)
 
@@ -181,7 +181,7 @@ def get_results():
             url_counter += 1
             
     print('Total URLs: %s Successful: %s Failed: %s' % (url_counter-1, success_counter-1, (url_counter - success_counter)))
-
+    #print('\nOutput file created:', output_dir + gene.lower() + '_mcsm_output.csv')
     output_df.to_csv(mcsm_output, index = None, header = True)
 #%%=====================================================================
 def format_results():