fatmacankara commited on
Commit
4b25e7e
·
1 Parent(s): bb579bd

Update code/add_3Dalignment.py

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Files changed (1) hide show
  1. code/add_3Dalignment.py +2 -15
code/add_3Dalignment.py CHANGED
@@ -215,10 +215,8 @@ def get_coords(annot, alignments, coords, resnums_for_sasa, mode):
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  def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chain, pdbID, mode, path_3D_alignment,file_format = 'gzip'):
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- print('In Function')
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  pdbSequence = convert_non_standard_amino_acids(pdbSequence)
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- print(pdbSequence)
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- print(mode, source)
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  if mode == 1:
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  if source == 'PDB':
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  # Step 1: Fetch the PDB file
@@ -265,16 +263,8 @@ 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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- st.write('I wanna sleep')
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- st.write(pdbSequence)
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- st.write(atomSequence)
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- st.write(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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- print(alignments)
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- print(coords)
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- print(resnums_for_sasa)
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  return alignments, coords, resnums_for_sasa
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  elif mode==2:
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  atomSequence = ''
@@ -310,8 +300,5 @@ def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chai
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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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- #for alignment in alignments:
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- # f.write(str(alignment))
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- # f.write('\n')
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- # f.write('\n')
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  return alignments, coords, resnums_for_sasa
 
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  def get_alignments_3D(identifier, model_num, pdb_path, pdbSequence, source, chain, pdbID, mode, path_3D_alignment,file_format = 'gzip'):
 
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  pdbSequence = convert_non_standard_amino_acids(pdbSequence)
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+
 
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  if mode == 1:
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  if source == 'PDB':
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  # Step 1: Fetch the PDB file
 
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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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  return alignments, coords, resnums_for_sasa
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  elif mode==2:
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  atomSequence = ''
 
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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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+
 
 
 
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  return alignments, coords, resnums_for_sasa