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f8c54bb
1
Parent(s):
f5285f2
Update code/add_3Dalignment.py
Browse files- code/add_3Dalignment.py +4 -1
code/add_3Dalignment.py
CHANGED
@@ -223,7 +223,6 @@ def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chai
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if source == 'PDB':
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# Step 1: Fetch the PDB file
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pdb_url = f"https://files.rcsb.org/download/{pdbID}.pdb"
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-
print(pdb_url)
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response = requests.get(pdb_url)
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response.raise_for_status() # Check for a successful response
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# Step 2: Parse the PDB file from memory
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@@ -266,6 +265,10 @@ def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chai
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aligner.substitution_matrix = substitution_matrices.load("BLOSUM62")
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aligner.open_gap_score = -11
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aligner.extend_gap_score = -1
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alignments = aligner.align(pdbSequence, atomSequence)
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alignments = (list(alignments))
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print('IN FUNC')
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if source == 'PDB':
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# Step 1: Fetch the PDB file
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pdb_url = f"https://files.rcsb.org/download/{pdbID}.pdb"
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response = requests.get(pdb_url)
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response.raise_for_status() # Check for a successful response
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# Step 2: Parse the PDB file from memory
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aligner.substitution_matrix = substitution_matrices.load("BLOSUM62")
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aligner.open_gap_score = -11
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aligner.extend_gap_score = -1
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print('I wanna sleep')
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print(pdbSequence)
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print(atomSequence)
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print(aligner.align(pdbSequence, atomSequence))
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alignments = aligner.align(pdbSequence, atomSequence)
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alignments = (list(alignments))
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print('IN FUNC')
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