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hainm/nastruct_example.py

Created May 26, 2016 14:39
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nastruct_example.py
In [1]: traj = pt.load('rna.pdb')
In [2]: ref = pt.iterload("./rna_nab.pdb")
In [3]: nu = pt.nastruct(traj, ref=ref, groove_3dna=True)
In [4]: nu.minor
Out[4]:
(['3G14C-4C13G', '4C13G-5G12C', '5G12C-6C11G'],
array([[ 15.80853176, 15.817976 , 15.48555374]]))
In [5]: nu.major
Out[5]:
(['3G14C-4C13G', '4C13G-5G12C', '5G12C-6C11G'],
array([[ 19.90150452, 20.7509594 , 19.98218346]]))
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