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- builtins.object
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- AminoAcid
- DeriveData
- CamShift(builtins.object)
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- CamShift1
class AminoAcid(builtins.object) |
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AminoAcid(*args, **kwargs)
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Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_AminoAcid(...)
- his_ring(*args, **kwargs) -> 'CDSList< String >'
- isSP2(*args, **kwargs) -> 'bool'
- is_backbone_h(*args, **kwargs) -> 'bool'
- is_backbone_ha(*args, **kwargs) -> 'bool'
- is_chi1_cx(*args, **kwargs) -> 'bool'
- phe_ring(*args, **kwargs) -> 'CDSList< String >'
- sidechain_ala(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_arg(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_asn(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_asp(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_cys(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_gln(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_glu(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_gly(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_his(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_ile(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_leu(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_lys(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_met(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_phe(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_pro(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_ser(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_thr(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_trp(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_tyr(*args, **kwargs) -> 'CDSList< String > const &'
- sidechain_val(*args, **kwargs) -> 'CDSList< String > const &'
- trp1_ring(*args, **kwargs) -> 'CDSList< String >'
- trp2_ring(*args, **kwargs) -> 'CDSList< String >'
- tyr_ring(*args, **kwargs) -> 'CDSList< String >'
- use_names(*args, **kwargs) -> 'void'
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- name_kind
- thisown
The membership flag
Data and other attributes defined here:
- CHARMM = 1
- CTER = 2
- IUPAC = 0
- NTER = 1
- STD = 0
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class CamShift1(CamShift) |
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CamShift1(*args, **kwargs)
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- Method resolution order:
- CamShift1
- CamShift
- builtins.object
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- addObservedChemicalShift(self, *args, **kwargs) -> 'void'
- addResidue(self, *args, **kwargs) -> 'void'
- assignAllCloseAtoms(self, *args, **kwargs) -> 'void'
- assignCloseAtoms(self, *args, **kwargs) -> 'void'
- cTerminus(self, *args, **kwargs) -> 'bool'
- energy(self, *args, **kwargs) -> 'double'
- flatBottomConst(self, *args, **kwargs) -> 'float_type const'
- fullPredictor(self, *args, **kwargs) -> 'bool const'
- getAllChemicalShifts(self, *args, **kwargs) -> 'void'
- getAtomChemicalShifts(self, *args, **kwargs) -> 'CDSVector< double >'
- get_debugatom1(self, *args, **kwargs) -> 'int'
- get_debugatom2(self, *args, **kwargs) -> 'int'
- get_distcutoff(self, *args, **kwargs) -> 'double'
- get_forcecutoff(self, *args, **kwargs) -> 'double'
- get_shiftcutoff(self, *args, **kwargs) -> 'double'
- init(self, *args, **kwargs) -> 'void'
- isSP2(self, *args, **kwargs) -> 'bool'
- maxShiftDevMult(self, *args, **kwargs) -> 'float_type const'
- movedTooMuch(self, *args, **kwargs) -> 'bool'
- nTerminus(self, *args, **kwargs) -> 'bool'
- printChemicalShifts(self, *args, **kwargs) -> 'void'
- printEnergy(self, *args, **kwargs) -> 'void'
- reserveMem(self, *args, **kwargs) -> 'void'
- setFlatBottomConst(self, *args, **kwargs) -> 'void'
- setFullPredictor(self, *args, **kwargs) -> 'void'
- setMaxShiftDevMult(self, *args, **kwargs) -> 'void'
- setObservedChemicalShift(self, *args, **kwargs) -> 'void'
- set_debugatoms(self, *args, **kwargs) -> 'void'
- set_distcutoff(self, *args, **kwargs) -> 'void'
- set_forcecutoff(self, *args, **kwargs) -> 'void'
- set_lambda(self, *args, **kwargs) -> 'void'
- set_shiftcutoff(self, *args, **kwargs) -> 'void'
- testCompleteness(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CamShift1(...)
Data descriptors defined here:
- thisown
The membership flag
Data and other attributes defined here:
- x = 0
- y = 1
- z = 2
Methods inherited from CamShift:
- calcDerivs(self, *args, **kwargs) -> 'bool const'
- chemicalShift(self, *args, **kwargs) -> 'float_type'
- chemicalShifts(self, *args, **kwargs) -> 'CDSVector< float_type >'
- getDerivative(self, *args, **kwargs) -> 'CDSList< Pair< int,Vec3 > >'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setCalcDerivs(self, *args, **kwargs) -> 'void'
- setTermsUsed(self, *args, **kwargs) -> 'void'
- termsUsed(self, *args, **kwargs) -> 'int const'
Static methods inherited from CamShift:
- generator(*args, **kwargs) -> 'CamShift *'
- stringToType(*args, **kwargs) -> 'CamShift::AtomType'
- typeToString(*args, **kwargs) -> 'String'
Data descriptors inherited from CamShift:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
Data and other attributes inherited from CamShift:
- AtomTypeSize = 7
- C = 4
- CA = 2
- CB = 6
- HA = 3
- HN = 1
- N = 0
- O = 5
- TERM_CONST = 1024
- TERM_CURR = 2
- TERM_DIHE = 128
- TERM_DISULF = 512
- TERM_EXTRA = 16
- TERM_HBOND = 256
- TERM_NBOND = 32
- TERM_NEXT = 4
- TERM_PREV = 1
- TERM_RING = 64
- TERM_SIDE = 8
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class DeriveData(builtins.object) |
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DeriveData(*args, **kwargs)
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Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_DeriveData(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- atomnum
- data
- restraint_residue_number
- thisown
The membership flag
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