Update app.py
Browse files
app.py
CHANGED
|
@@ -28,17 +28,17 @@ import numpy as np
|
|
| 28 |
from data.scripts.data_utils import modify_bfactor_biotite
|
| 29 |
|
| 30 |
def process_pdb_file(pdb_file, backbones, sequences, names):
|
| 31 |
-
|
| 32 |
-
|
| 33 |
-
|
| 34 |
-
|
| 35 |
-
|
| 36 |
-
|
| 37 |
-
|
| 38 |
-
|
| 39 |
-
|
| 40 |
-
|
| 41 |
-
|
| 42 |
|
| 43 |
def flex_seq(input_seq, input_file):
|
| 44 |
if not input_seq:
|
|
@@ -399,6 +399,9 @@ def rescale_bfactors(pdb_file):
|
|
| 399 |
|
| 400 |
def clear_files():
|
| 401 |
folder = 'prediction_results/'
|
|
|
|
|
|
|
|
|
|
| 402 |
for filename in os.listdir(folder):
|
| 403 |
file_path = os.path.join(folder, filename)
|
| 404 |
os.remove(file_path)
|
|
|
|
| 28 |
from data.scripts.data_utils import modify_bfactor_biotite
|
| 29 |
|
| 30 |
def process_pdb_file(pdb_file, backbones, sequences, names):
|
| 31 |
+
_name = pdb_file[:-4]
|
| 32 |
+
_chain = ""
|
| 33 |
+
parsed_pdb = parse_PDB(pdb_file, name=_name, input_chain_list=[_chain])[0]
|
| 34 |
+
backbone, sequence = parsed_pdb['coords_chain_{}'.format(_chain)], parsed_pdb['seq_chain_{}'.format(_chain)]
|
| 35 |
+
if len(sequence) > 1023:
|
| 36 |
+
print("Sequence length is greater than 1023, skipping {}".format(_name))
|
| 37 |
+
else:
|
| 38 |
+
backbones.append(backbone)
|
| 39 |
+
sequences.append(sequence)
|
| 40 |
+
names.append(_name)
|
| 41 |
+
return backbones, sequences, names
|
| 42 |
|
| 43 |
def flex_seq(input_seq, input_file):
|
| 44 |
if not input_seq:
|
|
|
|
| 399 |
|
| 400 |
def clear_files():
|
| 401 |
folder = 'prediction_results/'
|
| 402 |
+
if not os.path.isdir(folder):
|
| 403 |
+
os.makedirs(folder)
|
| 404 |
+
|
| 405 |
for filename in os.listdir(folder):
|
| 406 |
file_path = os.path.join(folder, filename)
|
| 407 |
os.remove(file_path)
|