Description of one TLS Group.
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__init__(self)
x.__init__(...) initializes x; see x.__class__.__doc__ for signature |
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set_name(self,
name)
Sets the TLS group name. |
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set_origin(self,
x,
y,
z)
Sets the TLS group origin of calculations. |
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add_range(self,
chain_id1,
frag_id1,
chain_id2,
frag_id2,
selection)
Adds a segment of residues to the TLS group. |
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set_T(self,
t11,
t22,
t33,
t12,
t13,
t23)
Sets the T tensor from the component arguments. |
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set_L(self,
l11,
l22,
l33,
l12,
l13,
l23)
Sets the L tensor from the component arguments. |
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set_L_deg2(self,
l11,
l22,
l33,
l12,
l13,
l23)
Sets the L tensor from the component arguments. |
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set_S(self,
s2211,
s1133,
s12,
s13,
s23,
s21,
s31,
s32)
Sets the S tensor from the component arguments. |
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set_S_deg(self,
s2211,
s1133,
s12,
s13,
s23,
s21,
s31,
s32)
Sets the S tensor from the component arguments. |
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set_tls_group(self,
tls_group)
Sets the TLSGroupDesc tensor values from the TLSGroup instance. |
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is_null(self)
Returns True if the T,L,S tensors are not set, or are set with values
of zero. |
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calc_tls_name(self)
Creates a name for the TLS group using the selected residue ranges. |
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iter_atoms(self,
struct)
Uses the TLS definition and the given Structure object to iterate
over all atoms which should be included in the TLS group according to
the range_list definitions. |
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construct_tls_group(self)
Creates a TLSGroup() object with the origin, T, L, and S tensors set
according to the TLS description. |
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construct_tls_group_with_atoms(self,
struct)
Creates a TLSGroup() object with the origin, T, L, and S tensors set
according to the TLS description, then add the Atoms to the TLSGroup
from the given argument Structure. |
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Inherited from object :
__delattr__ ,
__format__ ,
__getattribute__ ,
__hash__ ,
__new__ ,
__reduce__ ,
__reduce_ex__ ,
__repr__ ,
__setattr__ ,
__sizeof__ ,
__str__ ,
__subclasshook__
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