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Created March 18, 2015 21:51
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Kabsch test run
Raw
gistfile1.txt
simon@t430 ~/.julia/v0.3/BiomolecularStructures $ julia src/PDB/pdb.jl
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain A is discontinuous at line 5037.
PDBConstructionWarning)
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain B is discontinuous at line 5080.
PDBConstructionWarning)
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain C is discontinuous at line 5124.
PDBConstructionWarning)
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain D is discontinuous at line 5167.
PDBConstructionWarning)
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain A is discontinuous at line 5211.
PDBConstructionWarning)
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain B is discontinuous at line 5269.
PDBConstructionWarning)
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain C is discontinuous at line 5327.
PDBConstructionWarning)
/usr/local/lib/python2.7/dist-packages/Bio/PDB/StructureBuilder.py:86: PDBConstructionWarning: WARNING: Chain D is discontinuous at line 5385.
PDBConstructionWarning)
RMSD for Alpha chains of HUMAN DEOXYHAEMOGLOBIN (PDB ID: 2HHB)
Naive RMSD:
270.5825391117817
RMSD after Kabsch:
66.74658751480098
RMSD for Beta chains of HUMAN DEOXYHAEMOGLOBIN (PDB ID: 2HHB)
Naive RMSD:
294.89354860857554
RMSD after Kabsch:
6.258543882739997e-12
simon@t430 ~/.julia/v0.3/BiomolecularStructures $
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