Update code/add_sasa.py

code/add_sasa.py

@@ -12,12 +12,10 @@ import streamlit as st
 
 
 def run_freesasa(infile, outfile, include_hetatms=True, outdir=None, force_rerun=False, file_type = 'gzip'):
-    st.write('Here')
     if not outdir:
         outdir = ''
     outfile = op.join(outdir, outfile)
     if file_type == 'pdb':
-        st.write('pdb')
         if ssbio.utils.force_rerun(flag=force_rerun, outfile=outfile):
             if include_hetatms:
                 shell_command = 'freesasa --format=rsa --hetatm {} -o {}'.format(infile, outfile)
@@ -29,7 +27,6 @@ def run_freesasa(infile, outfile, include_hetatms=True, outdir=None, force_rerun
                                        shell=True)
             out, err = command.communicate()
     elif file_type == 'gzip':
-        st.write('gzip')
         with gzip.open(infile, 'rb') as f_in:
             with open('file_temp.pdb', 'wb') as f_out:
                 shutil.copyfileobj(f_in, f_out)
@@ -49,7 +46,6 @@ def run_freesasa(infile, outfile, include_hetatms=True, outdir=None, force_rerun
     return outfile
 
 def calculate_freesasa(ID, model_num, existing_free_sasa, path_to_input,path_to_output_files, file_type = 'gzip'):
-    st.write('Calculating s area')
     print('Calculating surface area...\n')
     file_base = str(Path(path_to_input / '*'))
     file_str = glob.glob(file_base)[0].split('-')[-1].split('.')[0]
@@ -67,7 +63,6 @@ def calculate_freesasa(ID, model_num, existing_free_sasa, path_to_input,path_to_
                          outdir=None, force_rerun=False)
 
 def sasa(source, pdbID, uniprotID, sasa_pos, wt, mode, path_to_output_files,file_type = 'gzip'):
-    st.write('sasa')
     if mode == 1:
         sasa = 'nan'
         for filename in list(Path(path_to_output_files / 'freesasa_files').glob("*")):