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- builtins.object
-
- MolecularSurfaceCalculator
-
- ShapeComplementarityCalculator
- __ATTEN_ENUM__
- rosetta.numeric.xyzVector_float_t(builtins.object)
-
- Atom
- rosetta.utility.excn.EXCN_Msg_Exception(rosetta.utility.excn.EXCN_Exception)
-
- ShapeComplementarityCalculatorException
class Atom(rosetta.numeric.xyzVector_float_t) |
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- Method resolution order:
- Atom
- rosetta.numeric.xyzVector_float_t
- builtins.object
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.core.scoring.sc.Atom, atom2 : rosetta.core.scoring.sc.Atom) -> int
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.core.scoring.sc.Atom) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
Data descriptors defined here:
- access
- atten
- buried
- density
- molecule
- natom
- neighbors
- nresidue
- radius
Methods inherited from rosetta.numeric.xyzVector_float_t:
- __add__(...) from builtins.PyCapsule
- __add__(*args, **kwargs)
Overloaded function.
1. __add__(rosetta.numeric.xyzVector_float_t, rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. __add__(rosetta.numeric.xyzVector_float_t, float) -> rosetta.numeric.xyzVector_float_t
- __call__(...) from builtins.PyCapsule
- __call__(*args, **kwargs)
Overloaded function.
1. __call__(self : rosetta.numeric.xyzVector_float_t, i : int) -> float
2. __call__(self : rosetta.numeric.xyzVector_float_t, i : int) -> float
- __getitem__(...) from builtins.PyCapsule
- __getitem__(*args, **kwargs)
Overloaded function.
1. __getitem__(self : rosetta.numeric.xyzVector_float_t, i : int) -> float
2. __getitem__(self : rosetta.numeric.xyzVector_float_t, i : int) -> float
- __iadd__(...) from builtins.PyCapsule
- __iadd__(rosetta.numeric.xyzVector_float_t, rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- __idiv__(...) from builtins.PyCapsule
- __idiv__(*args, **kwargs)
Overloaded function.
1. __idiv__(self : rosetta.numeric.xyzVector_float_t, t : float) -> rosetta.numeric.xyzVector_float_t
2. __idiv__(rosetta.numeric.xyzVector_float_t, float) -> rosetta.numeric.xyzVector_float_t
- __imul__(...) from builtins.PyCapsule
- __imul__(*args, **kwargs)
Overloaded function.
1. __imul__(self : rosetta.numeric.xyzVector_float_t, t : float) -> rosetta.numeric.xyzVector_float_t
2. __imul__(rosetta.numeric.xyzVector_float_t, float) -> rosetta.numeric.xyzVector_float_t
- __isub__(...) from builtins.PyCapsule
- __isub__(rosetta.numeric.xyzVector_float_t, rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- __sub__(...) from builtins.PyCapsule
- __sub__(*args, **kwargs)
Overloaded function.
1. __sub__(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. __sub__(rosetta.numeric.xyzVector_float_t, rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
3. __sub__(rosetta.numeric.xyzVector_float_t, float) -> rosetta.numeric.xyzVector_float_t
- assign(...) from builtins.PyCapsule
- assign(*args, **kwargs)
Overloaded function.
1. assign(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. assign(self : rosetta.numeric.xyzVector_float_t, t : float) -> rosetta.numeric.xyzVector_float_t
3. assign(self : rosetta.numeric.xyzVector_float_t, x_a : float, y_a : float, z_a : float) -> rosetta.numeric.xyzVector_float_t
- at(...) from builtins.PyCapsule
- at(*args, **kwargs)
Overloaded function.
1. at(self : rosetta.numeric.xyzVector_float_t, i : int) -> float
2. at(self : rosetta.numeric.xyzVector_float_t, i : int) -> float
- clear(...) from builtins.PyCapsule
- clear(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- cross(...) from builtins.PyCapsule
- cross(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- cross_product(...) from builtins.PyCapsule
- cross_product(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- distance(...) from builtins.PyCapsule
- distance(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> float
- distance_squared(...) from builtins.PyCapsule
- distance_squared(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> float
- dot(...) from builtins.PyCapsule
- dot(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> float
- dot_product(...) from builtins.PyCapsule
- dot_product(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> float
- equal_length(...) from builtins.PyCapsule
- equal_length(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> bool
- inner_product(...) from builtins.PyCapsule
- inner_product(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> float
- is_normalized(...) from builtins.PyCapsule
- is_normalized(*args, **kwargs)
Overloaded function.
1. is_normalized(rosetta.numeric.xyzVector_float_t) -> bool
2. is_normalized(self : rosetta.numeric.xyzVector_float_t, tol : float) -> bool
- is_unit(...) from builtins.PyCapsule
- is_unit(*args, **kwargs)
Overloaded function.
1. is_unit(rosetta.numeric.xyzVector_float_t) -> bool
2. is_unit(self : rosetta.numeric.xyzVector_float_t, tol : float) -> bool
- is_zero(...) from builtins.PyCapsule
- is_zero(rosetta.numeric.xyzVector_float_t) -> bool
- length(...) from builtins.PyCapsule
- length(rosetta.numeric.xyzVector_float_t) -> float
- length_squared(...) from builtins.PyCapsule
- length_squared(rosetta.numeric.xyzVector_float_t) -> float
- longer(...) from builtins.PyCapsule
- longer(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> bool
- longer_or_equal(...) from builtins.PyCapsule
- longer_or_equal(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> bool
- magnitude(...) from builtins.PyCapsule
- magnitude(rosetta.numeric.xyzVector_float_t) -> float
- magnitude_squared(...) from builtins.PyCapsule
- magnitude_squared(rosetta.numeric.xyzVector_float_t) -> float
- max(...) from builtins.PyCapsule
- max(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- maximum_value(...) from builtins.PyCapsule
- maximum_value(rosetta.numeric.xyzVector_float_t) -> float
- min(...) from builtins.PyCapsule
- min(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- minimum_value(...) from builtins.PyCapsule
- minimum_value(rosetta.numeric.xyzVector_float_t) -> float
- negate(...) from builtins.PyCapsule
- negate(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- negated(...) from builtins.PyCapsule
- negated(*args, **kwargs)
Overloaded function.
1. negated(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. negated(self : rosetta.numeric.xyzVector_float_t, a : rosetta.numeric.xyzVector_float_t) -> NoneType
- norm(...) from builtins.PyCapsule
- norm(rosetta.numeric.xyzVector_float_t) -> float
- norm_squared(...) from builtins.PyCapsule
- norm_squared(rosetta.numeric.xyzVector_float_t) -> float
- normalize(...) from builtins.PyCapsule
- normalize(*args, **kwargs)
Overloaded function.
1. normalize(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. normalize(self : rosetta.numeric.xyzVector_float_t, length_a : float) -> rosetta.numeric.xyzVector_float_t
- normalize_any(...) from builtins.PyCapsule
- normalize_any(*args, **kwargs)
Overloaded function.
1. normalize_any(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. normalize_any(self : rosetta.numeric.xyzVector_float_t, length_a : float) -> rosetta.numeric.xyzVector_float_t
- normalize_or_zero(...) from builtins.PyCapsule
- normalize_or_zero(*args, **kwargs)
Overloaded function.
1. normalize_or_zero(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. normalize_or_zero(self : rosetta.numeric.xyzVector_float_t, length_a : float) -> rosetta.numeric.xyzVector_float_t
- normalized(...) from builtins.PyCapsule
- normalized(*args, **kwargs)
Overloaded function.
1. normalized(self : rosetta.numeric.xyzVector_float_t, a : rosetta.numeric.xyzVector_float_t) -> NoneType
2. normalized(self : rosetta.numeric.xyzVector_float_t, length_a : float, a : rosetta.numeric.xyzVector_float_t) -> NoneType
3. normalized(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
4. normalized(self : rosetta.numeric.xyzVector_float_t, length_a : float) -> rosetta.numeric.xyzVector_float_t
- normalized_any(...) from builtins.PyCapsule
- normalized_any(*args, **kwargs)
Overloaded function.
1. normalized_any(self : rosetta.numeric.xyzVector_float_t, a : rosetta.numeric.xyzVector_float_t) -> NoneType
2. normalized_any(self : rosetta.numeric.xyzVector_float_t, length_a : float, a : rosetta.numeric.xyzVector_float_t) -> NoneType
3. normalized_any(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
4. normalized_any(self : rosetta.numeric.xyzVector_float_t, length_a : float) -> rosetta.numeric.xyzVector_float_t
- normalized_or_zero(...) from builtins.PyCapsule
- normalized_or_zero(*args, **kwargs)
Overloaded function.
1. normalized_or_zero(self : rosetta.numeric.xyzVector_float_t, a : rosetta.numeric.xyzVector_float_t) -> NoneType
2. normalized_or_zero(self : rosetta.numeric.xyzVector_float_t, length_a : float, a : rosetta.numeric.xyzVector_float_t) -> NoneType
3. normalized_or_zero(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
4. normalized_or_zero(self : rosetta.numeric.xyzVector_float_t, length_a : float) -> rosetta.numeric.xyzVector_float_t
- not_equal_length(...) from builtins.PyCapsule
- not_equal_length(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> bool
- project_normal(...) from builtins.PyCapsule
- project_normal(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- project_parallel(...) from builtins.PyCapsule
- project_parallel(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
- projected_normal(...) from builtins.PyCapsule
- projected_normal(*args, **kwargs)
Overloaded function.
1. projected_normal(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. projected_normal(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t, a : rosetta.numeric.xyzVector_float_t) -> NoneType
- projected_parallel(...) from builtins.PyCapsule
- projected_parallel(*args, **kwargs)
Overloaded function.
1. projected_parallel(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
2. projected_parallel(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t, a : rosetta.numeric.xyzVector_float_t) -> NoneType
- shorter(...) from builtins.PyCapsule
- shorter(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> bool
- shorter_or_equal(...) from builtins.PyCapsule
- shorter_or_equal(self : rosetta.numeric.xyzVector_float_t, v : rosetta.numeric.xyzVector_float_t) -> bool
- to_string(...) from builtins.PyCapsule
- to_string(rosetta.numeric.xyzVector_float_t) -> str
- zero(...) from builtins.PyCapsule
- zero(rosetta.numeric.xyzVector_float_t) -> rosetta.numeric.xyzVector_float_t
Data descriptors inherited from rosetta.numeric.xyzVector_float_t:
- x
- y
- z
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class MolecularSurfaceCalculator(builtins.object) |
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/////////////////////////////////////////////////////////
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Methods defined here:
- AddAtom(...) from builtins.PyCapsule
- AddAtom(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule : int, atom : rosetta.core.scoring.sc.Atom) -> int
- AddResidue(...) from builtins.PyCapsule
- AddResidue(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule : int, residue : rosetta.core.conformation.Residue) -> int
- Calc(...) from builtins.PyCapsule
- Calc(*args, **kwargs)
Overloaded function.
1. Calc(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, pose : rosetta.core.pose.Pose) -> int
Generate molecular surfaces for the given pose.
//
2. Calc(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, pose : rosetta.core.pose.Pose, jump_id : int) -> int
Generate molecular surfaces for the given pose.
//
3. Calc(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> int
Generate molecular surfaces for loaded atoms.
//
- GetAtoms(...) from builtins.PyCapsule
- GetAtoms(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> rosetta.std.vector_core_scoring_sc_Atom
- GetDots(...) from builtins.PyCapsule
- GetDots(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid : int) -> rosetta.std.vector_core_scoring_sc__DOT
- GetResults(...) from builtins.PyCapsule
- GetResults(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> rosetta.core.scoring.sc._RESULTS
- Init(...) from builtins.PyCapsule
- Init(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> int
- Reset(...) from builtins.PyCapsule
- Reset(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> NoneType
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, : rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> rosetta.core.scoring.sc.MolecularSurfaceCalculator
Data descriptors defined here:
- settings
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class ShapeComplementarityCalculator(MolecularSurfaceCalculator) |
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/////////////////////////////////////////////////////////
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- Method resolution order:
- ShapeComplementarityCalculator
- MolecularSurfaceCalculator
- builtins.object
Methods defined here:
- Calc(...) from builtins.PyCapsule
- Calc(*args, **kwargs)
Overloaded function.
1. Calc(rosetta.core.scoring.sc.ShapeComplementarityCalculator) -> int
2. Calc(self : rosetta.core.scoring.sc.ShapeComplementarityCalculator, pose : rosetta.core.pose.Pose, jump_id : int) -> int
- CalcSc(...) from builtins.PyCapsule
- CalcSc(*args, **kwargs)
Overloaded function.
1. CalcSc(pose : rosetta.core.pose.Pose) -> float
2. CalcSc(pose : rosetta.core.pose.Pose, jump_id : int) -> float
3. CalcSc(pose : rosetta.core.pose.Pose, jump_id : int, quick : int) -> float
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.scoring.sc.ShapeComplementarityCalculator, : rosetta.core.scoring.sc.ShapeComplementarityCalculator) -> rosetta.core.scoring.sc.ShapeComplementarityCalculator
Methods inherited from MolecularSurfaceCalculator:
- AddAtom(...) from builtins.PyCapsule
- AddAtom(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule : int, atom : rosetta.core.scoring.sc.Atom) -> int
- AddResidue(...) from builtins.PyCapsule
- AddResidue(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, molecule : int, residue : rosetta.core.conformation.Residue) -> int
- GetAtoms(...) from builtins.PyCapsule
- GetAtoms(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> rosetta.std.vector_core_scoring_sc_Atom
- GetDots(...) from builtins.PyCapsule
- GetDots(self : rosetta.core.scoring.sc.MolecularSurfaceCalculator, moleculeid : int) -> rosetta.std.vector_core_scoring_sc__DOT
- GetResults(...) from builtins.PyCapsule
- GetResults(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> rosetta.core.scoring.sc._RESULTS
- Init(...) from builtins.PyCapsule
- Init(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> int
- Reset(...) from builtins.PyCapsule
- Reset(rosetta.core.scoring.sc.MolecularSurfaceCalculator) -> NoneType
Data descriptors inherited from MolecularSurfaceCalculator:
- settings
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