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Commit 64db2dd4 authored by BIOPZ-Bertoni Martino's avatar BIOPZ-Bertoni Martino
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fixed mmalign output parsing

parent cb67c37e
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...@@ -128,12 +128,11 @@ def _RunTmAlign(tmalign, tmp_dir): ...@@ -128,12 +128,11 @@ def _RunTmAlign(tmalign, tmp_dir):
return _ParseTmAlign(lines,lines_matrix) return _ParseTmAlign(lines,lines_matrix)
class MMAlignResult: class MMAlignResult:
def __init__(self, rmsd, tm_score, aligned_length, transform, ref_sequence, alignment): def __init__(self, rmsd, aligned_length, tm_score, transform, alignment):
self.rmsd=rmsd self.rmsd=rmsd
self.tm_score=tm_score self.tm_score=tm_score
self.aligned_length=aligned_length self.aligned_length=aligned_length
self.transform=transform self.transform=transform
self.ref_sequence =ref_sequence
self.alignment=alignment self.alignment=alignment
def _ParseMmAlign(lines): def _ParseMmAlign(lines):
...@@ -153,7 +152,7 @@ def _ParseMmAlign(lines): ...@@ -153,7 +152,7 @@ def _ParseMmAlign(lines):
alignment = seq.CreateAlignment() alignment = seq.CreateAlignment()
alignment.AddSequence(seq2) alignment.AddSequence(seq2)
alignment.AddSequence(seq1) alignment.AddSequence(seq1)
return MMAlignResult(rmsd, aln_length, tm_score, tf, seq2, alignment) return MMAlignResult(rmsd, aln_length, tm_score, tf, alignment)
def _RunMmAlign(mmalign, tmp_dir): def _RunMmAlign(mmalign, tmp_dir):
model1_filename=os.path.join(tmp_dir, 'model01.pdb') model1_filename=os.path.join(tmp_dir, 'model01.pdb')
......
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