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Commit 8e4d2c72 authored by Studer Gabriel's avatar Studer Gabriel
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lDDT: bugfix

parent 69d26295
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...@@ -814,7 +814,7 @@ class lDDTScorer: ...@@ -814,7 +814,7 @@ class lDDTScorer:
# throw away compound_lib info # throw away compound_lib info
if r.chem_class.IsPeptideLinking(): if r.chem_class.IsPeptideLinking():
self.compound_anames[r.name] = ["CA"] self.compound_anames[r.name] = ["CA"]
elif r.chem_type.IsNucleotideLinking(): elif r.chem_class.IsNucleotideLinking():
self.compound_anames[r.name] = ["C3'"] self.compound_anames[r.name] = ["C3'"]
else: else:
raise RuntimeError(f"Only support amino acids and nucleotides " raise RuntimeError(f"Only support amino acids and nucleotides "
......
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