Spaces:
Running
Running
Commit
·
6bd86dc
1
Parent(s):
8f9f827
Update code/alphafold_featureVector.py
Browse files
code/alphafold_featureVector.py
CHANGED
@@ -691,9 +691,7 @@ def alphafold(input_set, mode, impute):
|
|
691 |
st.write('existing_free_sasa', existing_free_sasa)
|
692 |
if ID not in existing_free_sasa:
|
693 |
fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
|
694 |
-
run_freesasa(fullID),
|
695 |
-
Path(path_to_output_files / f'freesasa_files/AF-{uniprotID}-F{mod}.txt'), include_hetatms=True,
|
696 |
-
outdir=None, force_rerun=False)
|
697 |
st.write('Calulated')
|
698 |
#calculate_freesasa(uniprotID, mod, existing_free_sasa, alphafold_path, path_to_output_files)
|
699 |
if (mutationPositionOnPDB != 'nan'):
|
|
|
691 |
st.write('existing_free_sasa', existing_free_sasa)
|
692 |
if ID not in existing_free_sasa:
|
693 |
fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
|
694 |
+
run_freesasa(fullID),Path(path_to_output_files / f'freesasa_files/AF-{uniprotID}-F{mod}.txt'), include_hetatms=True,outdir=None, force_rerun=False)
|
|
|
|
|
695 |
st.write('Calulated')
|
696 |
#calculate_freesasa(uniprotID, mod, existing_free_sasa, alphafold_path, path_to_output_files)
|
697 |
if (mutationPositionOnPDB != 'nan'):
|