Class Ramachandran
object --+
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GeomAnalyzerBase --+
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Ramachandran
Calculate the Phi and Psi torsions for selected atoms.
Usage example:
ana = Ramachandran([[1, 2, 3, 4, 5], [3, 4, 5, 6, 7]])
# The phi-psi torsions are defined by 1-2-3-4 (phi_0), 2-3-4-5 (psi_0),
# 3-4-5-6 (phi_1), and 4-5-6-7 (psi_1).
results = analyze(tr, ana)
where C{tr} is a trajectory, and C{results} is a list, and each element in
the list is a list: [(phi_0, psi_0), (phi_1, psi_1),] for the corresponding
trajectory frame.
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__init__(self,
phipsi_gids)
x.__init__(...) initializes x; see help(type(x)) for signature |
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Inherited from GeomAnalyzerBase:
__call__
Inherited from object:
__delattr__,
__format__,
__getattribute__,
__hash__,
__new__,
__reduce__,
__reduce_ex__,
__repr__,
__setattr__,
__sizeof__,
__str__,
__subclasshook__
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__init__(self,
phipsi_gids)
(Constructor)
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x.__init__(...) initializes x; see help(type(x)) for signature
- Parameters:
phipsi_gids (list of lists (or tuples)
of ints) - Each element is a 5-element list or
tuple, specifying the GIDs of the C0, N0, CA, C1, N1
backbone atoms - Overrides:
object.__init__
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