fatmacankara commited on
Commit
e130079
·
1 Parent(s): f2540fb

Update code/add_3Dalignment.py

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Files changed (1) hide show
  1. code/add_3Dalignment.py +6 -1
code/add_3Dalignment.py CHANGED
@@ -226,19 +226,24 @@ def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chai
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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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- print(response)
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  # Step 2: Parse the PDB file from memory
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  atoms = [i for i in response.text.split('\n') if i.startswith('ATOM')]
 
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  print(atoms)
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  atoms = [i.split() for i in atoms]
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  atoms = [i for i in atoms if (i[2] == 'CA' and i[4] == chain)]
 
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  print(atoms)
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  atomSequence = ''.join([three_to_one(i[3]) for i in atoms])
 
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  print(atomSequence)
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  coords = [[i[6] ,i[7] ,i[8]] for i in atoms]
 
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  print(coords)
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  resnums_for_sasa = [i[5] for i in atoms]
 
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  print(resnums_for_sasa)
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  elif source == 'SWISSMODEL':
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  atomSequence = ''
 
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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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  atoms = [i for i in response.text.split('\n') if i.startswith('ATOM')]
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+ print('ATOMS')
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  print(atoms)
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  atoms = [i.split() for i in atoms]
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  atoms = [i for i in atoms if (i[2] == 'CA' and i[4] == chain)]
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+ print('ATOMS 2')
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  print(atoms)
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+
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  atomSequence = ''.join([three_to_one(i[3]) for i in atoms])
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+ print('atomSequence')
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  print(atomSequence)
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  coords = [[i[6] ,i[7] ,i[8]] for i in atoms]
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+ print('coords')
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  print(coords)
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  resnums_for_sasa = [i[5] for i in atoms]
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+ print('resnums_for_sasa')
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  print(resnums_for_sasa)
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  elif source == 'SWISSMODEL':
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  atomSequence = ''