Spaces:
Sleeping
Sleeping
Commit
·
6683d00
1
Parent(s):
983e197
Update code/add_3Dalignment.py
Browse files- code/add_3Dalignment.py +3 -1
code/add_3Dalignment.py
CHANGED
@@ -223,9 +223,10 @@ def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chai
|
|
223 |
if source == 'PDB':
|
224 |
# Step 1: Fetch the PDB file
|
225 |
pdb_url = f"https://files.rcsb.org/download/{pdbID}.pdb"
|
|
|
226 |
response = requests.get(pdb_url)
|
227 |
response.raise_for_status() # Check for a successful response
|
228 |
-
|
229 |
# Step 2: Parse the PDB file from memory
|
230 |
atoms = [i for i in response.text.split('\n') if i.startswith('ATOM')]
|
231 |
atoms = [i.split() for i in atoms]
|
@@ -233,6 +234,7 @@ def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chai
|
|
233 |
atomSequence = ''.join([three_to_one(i[3]) for i in atoms])
|
234 |
coords = [[i[6] ,i[7] ,i[8]] for i in atoms]
|
235 |
resnums_for_sasa = [i[5] for i in atoms]
|
|
|
236 |
elif source == 'SWISSMODEL':
|
237 |
atomSequence = ''
|
238 |
coords = []
|
|
|
223 |
if source == 'PDB':
|
224 |
# Step 1: Fetch the PDB file
|
225 |
pdb_url = f"https://files.rcsb.org/download/{pdbID}.pdb"
|
226 |
+
print(pdb_url)
|
227 |
response = requests.get(pdb_url)
|
228 |
response.raise_for_status() # Check for a successful response
|
229 |
+
print(response)
|
230 |
# Step 2: Parse the PDB file from memory
|
231 |
atoms = [i for i in response.text.split('\n') if i.startswith('ATOM')]
|
232 |
atoms = [i.split() for i in atoms]
|
|
|
234 |
atomSequence = ''.join([three_to_one(i[3]) for i in atoms])
|
235 |
coords = [[i[6] ,i[7] ,i[8]] for i in atoms]
|
236 |
resnums_for_sasa = [i[5] for i in atoms]
|
237 |
+
print(atoms)
|
238 |
elif source == 'SWISSMODEL':
|
239 |
atomSequence = ''
|
240 |
coords = []
|