| |
- builtins.object
-
- FadeInterval
- HBAccChemType
- HBDerivType
- HBDonChemType
- HBEvalTuple
- HBEvalType
- HBGeoDimType
- HBSeqSep
- HBond
- HBondDatabase
- HBondDerivs
- HBondOptions
- HBondTypeManager
- HBondWeightType
- SSWeightParameters
- rosetta.basic.datacache.CacheableData(builtins.object)
-
- HBondSet
- rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy(rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy)
-
- HBondEnergy
- rosetta.core.scoring.methods.EnergyMethodCreator(builtins.object)
-
- HBondEnergyCreator
- rosetta.numeric.Polynomial_1d(builtins.object)
-
- Polynomial_1d
class FadeInterval(builtins.object) |
|
//////////////////////////
Classic FadeInterval
//////////////////////////
stores an "fading interval" [a b c d] with a <= b <= c <= d
and computes the fraction of containment for x, which is defined to be
0 if x is outside of (a,d), 1 if x is inside of [b,c],
and a linear ramp otherwise.
___/-----\___
i.e. (x-a)/(b-a) for x in (a,b), and (d-x)/(d-c) for x in (c,d)
This is used to ensure that hbond scoring as a sum Er + ExH + ExD goes to zero at the edges.
Notes about discontinuities:
if x equals a, b, c, or d then deriv = 0
if x == a == b then value = 0
if x == c == d and a < c then value = 1
if x == c == d and a == c then value = 0
In particular if a == b == c == d then for all x, value == deriv == 0
///////////////////////////
Smooth FadeInteval
///////////////////////////
Rather than using a piecewise linear fading function,
use a piecewise sigmoid function to have a continuous derivative.
Look for a canonical sigmoid function f(x) such that,
f(0) = 1 f(1) = 0 // goes through the the knots
f'(0) = 0 f'(1) = 0 // is horizontal at the knots
a continuous differative
f(x-.5)-.5 is odd // symmetric
I claim, f(x) = 2x^3 - 3x^2 + 1, satisfies these constraints:
f(0) = 2(0)^3 - 3(x)^2 + 1 = 1
f(1) = 2(1)^3 - 3(1)^2 + 1 = 2 - 3 + 1 = 0
f'(x) = 6x^2 - 6x = 6x(x-1)
f'(0) = 6(0)(0-1) = 0
f'(1) = 6(1)(1-1) = 0
a function g(x) is odd if g(-x) = -g(x)
f((-x)-.5)-.5 = 2(-x-.5)^3 - 3(-x-.5)^2 + 1 - .5
= -2x^3 - 6x^2 - 4.5x - .5
-(f(x-.5)-.5) = -2(x-.5)^3 + 3(x-.5)^2 - 1 + .5
= -2x^3 - 6x^2 - 4.5x - .5
Given the knots --a-b---c-d-- transform f(x) to fill a-b and c-d
to connect the linear regions.
a-b region:
let z(x) = (x-a)/(b-a) and z'(x) = 1/(b-a)
use g(x) = 1-f(-z(x)) = -2z^3 + 3z^2
and g'(x) = -6z(z-1)*z'(x)
c-d region:
let z(x) = (x-c)/(d-c) and z'(x) = 1/(d-c)
use g(x) = f(z) = 2z^3 - 3z^2 + 1
and g'(x) = 6z(z-1)*z'(x)
///////////////////////// |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.FadeInterval) -> NoneType
2. __init__(rosetta.core.scoring.hbonds.FadeInterval, float, float, float, float) -> NoneType
doc
3. __init__(self : rosetta.core.scoring.hbonds.FadeInterval, min0 : float, fmin : float, fmax : float, max0 : float, smooth : bool) -> NoneType
4. __init__(rosetta.core.scoring.hbonds.FadeInterval, str, float, float, float, float) -> NoneType
doc
5. __init__(self : rosetta.core.scoring.hbonds.FadeInterval, name : str, min0 : float, fmin : float, fmax : float, max0 : float, smooth : bool) -> NoneType
6. __init__(self : rosetta.core.scoring.hbonds.FadeInterval, : rosetta.core.scoring.hbonds.FadeInterval) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.scoring.hbonds.FadeInterval) -> str
- get_fmax(...) from builtins.PyCapsule
- get_fmax(rosetta.core.scoring.hbonds.FadeInterval) -> float
- get_fmin(...) from builtins.PyCapsule
- get_fmin(rosetta.core.scoring.hbonds.FadeInterval) -> float
- get_max0(...) from builtins.PyCapsule
- get_max0(rosetta.core.scoring.hbonds.FadeInterval) -> float
- get_min0(...) from builtins.PyCapsule
- get_min0(rosetta.core.scoring.hbonds.FadeInterval) -> float
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.core.scoring.hbonds.FadeInterval) -> str
- get_smooth(...) from builtins.PyCapsule
- get_smooth(rosetta.core.scoring.hbonds.FadeInterval) -> bool
- value(...) from builtins.PyCapsule
- value(self : rosetta.core.scoring.hbonds.FadeInterval, x : float) -> float
- value_deriv(...) from builtins.PyCapsule
- value_deriv(self : rosetta.core.scoring.hbonds.FadeInterval, x : float, val : float, deriv : float) -> NoneType
|
class HBAccChemType(builtins.object) |
|
////////////////////////////////////////////////////////////////////////////
/// WARNING WARNING WARNING
///
/// Changing the HBAccChemType or HBDonChemType will change the
/// sort order in hbonds::hbtrie::HBAtom::operator<(...) and
/// hbonds::hbtrie::HBAtom::operator==(...). Changing the sort
/// order will __definitely__ cause trajectory changes. So make
/// changes very carefully!
///
/////////////////////////////////////////////////////////////////////////// |
|
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(rosetta.core.scoring.hbonds.HBAccChemType, rosetta.core.scoring.hbonds.HBAccChemType) -> bool
- __hash__(...) from builtins.PyCapsule
- __hash__(rosetta.core.scoring.hbonds.HBAccChemType) -> int
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.HBAccChemType, int) -> NoneType
2. __init__(rosetta.core.scoring.hbonds.HBAccChemType, int) -> NoneType
- __int__(...) from builtins.PyCapsule
- __int__(rosetta.core.scoring.hbonds.HBAccChemType) -> int
- __ne__(...) from builtins.PyCapsule
- __ne__(rosetta.core.scoring.hbonds.HBAccChemType, rosetta.core.scoring.hbonds.HBAccChemType) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __repr__(...) from builtins.PyCapsule
- __repr__(rosetta.core.scoring.hbonds.HBAccChemType) -> str
Data and other attributes defined here:
- hbacc_AHX = HBAccChemType.hbacc_AHX
- hbacc_CXA = HBAccChemType.hbacc_CXA
- hbacc_CXL = HBAccChemType.hbacc_CXL
- hbacc_GENERIC_RINGBB = HBAccChemType.hbacc_GENERIC_RINGBB
- hbacc_GENERIC_RINGSC = HBAccChemType.hbacc_MAX
- hbacc_GENERIC_SP2BB = HBAccChemType.hbacc_GENERIC_SP2BB
- hbacc_GENERIC_SP2SC = HBAccChemType.hbacc_GENERIC_SP2SC
- hbacc_GENERIC_SP3BB = HBAccChemType.hbacc_GENERIC_SP3BB
- hbacc_GENERIC_SP3SC = HBAccChemType.hbacc_GENERIC_SP3SC
- hbacc_H2O = HBAccChemType.hbacc_H2O
- hbacc_HXL = HBAccChemType.hbacc_HXL
- hbacc_IMD = HBAccChemType.hbacc_IMD
- hbacc_IME = HBAccChemType.hbacc_IME
- hbacc_MAX = HBAccChemType.hbacc_MAX
- hbacc_NONE = HBAccChemType.hbacc_NONE
- hbacc_PBA = HBAccChemType.hbacc_PBA
- hbacc_PCA_DNA = HBAccChemType.hbacc_PCA_DNA
- hbacc_PCA_RNA = HBAccChemType.hbacc_PCA_RNA
- hbacc_PES_DNA = HBAccChemType.hbacc_PES_DNA
- hbacc_PES_RNA = HBAccChemType.hbacc_PES_RNA
- hbacc_RRI_DNA = HBAccChemType.hbacc_RRI_DNA
- hbacc_RRI_RNA = HBAccChemType.hbacc_RRI_RNA
|
class HBDonChemType(builtins.object) |
| |
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(rosetta.core.scoring.hbonds.HBDonChemType, rosetta.core.scoring.hbonds.HBDonChemType) -> bool
- __hash__(...) from builtins.PyCapsule
- __hash__(rosetta.core.scoring.hbonds.HBDonChemType) -> int
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.HBDonChemType, int) -> NoneType
2. __init__(rosetta.core.scoring.hbonds.HBDonChemType, int) -> NoneType
- __int__(...) from builtins.PyCapsule
- __int__(rosetta.core.scoring.hbonds.HBDonChemType) -> int
- __ne__(...) from builtins.PyCapsule
- __ne__(rosetta.core.scoring.hbonds.HBDonChemType, rosetta.core.scoring.hbonds.HBDonChemType) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __repr__(...) from builtins.PyCapsule
- __repr__(rosetta.core.scoring.hbonds.HBDonChemType) -> str
Data and other attributes defined here:
- hbdon_AHX = HBDonChemType.hbdon_AHX
- hbdon_AMO = HBDonChemType.hbdon_AMO
- hbdon_CXA = HBDonChemType.hbdon_CXA
- hbdon_GDE = HBDonChemType.hbdon_GDE
- hbdon_GDH = HBDonChemType.hbdon_GDH
- hbdon_GENERIC_BB = HBDonChemType.hbdon_GENERIC_BB
- hbdon_GENERIC_SC = HBDonChemType.hbdon_MAX
- hbdon_H2O = HBDonChemType.hbdon_H2O
- hbdon_HXL = HBDonChemType.hbdon_HXL
- hbdon_IMD = HBDonChemType.hbdon_IMD
- hbdon_IME = HBDonChemType.hbdon_IME
- hbdon_IND = HBDonChemType.hbdon_IND
- hbdon_MAX = HBDonChemType.hbdon_MAX
- hbdon_NONE = HBDonChemType.hbdon_NONE
- hbdon_PBA = HBDonChemType.hbdon_PBA
|
class HBEvalTuple(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.HBEvalTuple) -> NoneType
2. __init__(self : rosetta.core.scoring.hbonds.HBEvalTuple, datm : int, don_rsd : rosetta.core.conformation.Residue, aatm : int, acc_rsd : rosetta.core.conformation.Residue) -> NoneType
3. __init__(self : rosetta.core.scoring.hbonds.HBEvalTuple, don : rosetta.core.scoring.hbonds.HBDonChemType, acc : rosetta.core.scoring.hbonds.HBAccChemType, sequence_sep : rosetta.core.scoring.hbonds.HBSeqSep) -> NoneType
4. __init__(self : rosetta.core.scoring.hbonds.HBEvalTuple, src : rosetta.core.scoring.hbonds.HBEvalTuple) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.scoring.hbonds.HBEvalTuple) -> str
- acc_type(...) from builtins.PyCapsule
- acc_type(*args, **kwargs)
Overloaded function.
1. acc_type(self : rosetta.core.scoring.hbonds.HBEvalTuple, acc : rosetta.core.scoring.hbonds.HBAccChemType) -> NoneType
2. acc_type(rosetta.core.scoring.hbonds.HBEvalTuple) -> rosetta.core.scoring.hbonds.HBAccChemType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.scoring.hbonds.HBEvalTuple, rhs : rosetta.core.scoring.hbonds.HBEvalTuple) -> rosetta.core.scoring.hbonds.HBEvalTuple
- don_type(...) from builtins.PyCapsule
- don_type(*args, **kwargs)
Overloaded function.
1. don_type(self : rosetta.core.scoring.hbonds.HBEvalTuple, don : rosetta.core.scoring.hbonds.HBDonChemType) -> NoneType
2. don_type(rosetta.core.scoring.hbonds.HBEvalTuple) -> rosetta.core.scoring.hbonds.HBDonChemType
- eval_type(...) from builtins.PyCapsule
- eval_type(rosetta.core.scoring.hbonds.HBEvalTuple) -> rosetta.core.scoring.hbonds.HBEvalType
- sequence_sep(...) from builtins.PyCapsule
- sequence_sep(*args, **kwargs)
Overloaded function.
1. sequence_sep(self : rosetta.core.scoring.hbonds.HBEvalTuple, seqsep : rosetta.core.scoring.hbonds.HBSeqSep) -> NoneType
2. sequence_sep(rosetta.core.scoring.hbonds.HBEvalTuple) -> rosetta.core.scoring.hbonds.HBSeqSep
|
class HBEvalType(builtins.object) |
| |
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(rosetta.core.scoring.hbonds.HBEvalType, rosetta.core.scoring.hbonds.HBEvalType) -> bool
- __hash__(...) from builtins.PyCapsule
- __hash__(rosetta.core.scoring.hbonds.HBEvalType) -> int
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.HBEvalType, int) -> NoneType
2. __init__(rosetta.core.scoring.hbonds.HBEvalType, int) -> NoneType
- __int__(...) from builtins.PyCapsule
- __int__(rosetta.core.scoring.hbonds.HBEvalType) -> int
- __ne__(...) from builtins.PyCapsule
- __ne__(rosetta.core.scoring.hbonds.HBEvalType, rosetta.core.scoring.hbonds.HBEvalType) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __repr__(...) from builtins.PyCapsule
- __repr__(rosetta.core.scoring.hbonds.HBEvalType) -> str
Data and other attributes defined here:
- hbe_GENERIC_RINGBB_LR = HBEvalType.hbe_GENERIC_RINGBB_LR
- hbe_GENERIC_RINGBB_SR = HBEvalType.hbe_GENERIC_RINGBB_SR
- hbe_GENERIC_RINGBSC_LR = HBEvalType.hbe_GENERIC_RINGBSC_LR
- hbe_GENERIC_RINGBSC_SR = HBEvalType.hbe_GENERIC_RINGBSC_SR
- hbe_GENERIC_RINGSCSC_LR = HBEvalType.hbe_MAX
- hbe_GENERIC_RINGSCSC_SR = HBEvalType.hbe_GENERIC_RINGSCSC_SR
- hbe_GENERIC_SP2BB_LR = HBEvalType.hbe_GENERIC_SP2BB_LR
- hbe_GENERIC_SP2BB_SR = HBEvalType.hbe_GENERIC_SP2BB_SR
- hbe_GENERIC_SP2BSC_LR = HBEvalType.hbe_GENERIC_SP2BSC_LR
- hbe_GENERIC_SP2BSC_SR = HBEvalType.hbe_GENERIC_SP2BSC_SR
- hbe_GENERIC_SP2SCSC_LR = HBEvalType.hbe_GENERIC_SP2SCSC_LR
- hbe_GENERIC_SP2SCSC_SR = HBEvalType.hbe_GENERIC_SP2SCSC_SR
- hbe_GENERIC_SP3BB_LR = HBEvalType.hbe_GENERIC_SP3BB_LR
- hbe_GENERIC_SP3BB_SR = HBEvalType.hbe_GENERIC_SP3BB_SR
- hbe_GENERIC_SP3BSC_LR = HBEvalType.hbe_GENERIC_SP3BSC_LR
- hbe_GENERIC_SP3BSC_SR = HBEvalType.hbe_GENERIC_SP3BSC_SR
- hbe_GENERIC_SP3SCSC_LR = HBEvalType.hbe_GENERIC_SP3SCSC_LR
- hbe_GENERIC_SP3SCSC_SR = HBEvalType.hbe_GENERIC_SP3SCSC_SR
- hbe_MAX = HBEvalType.hbe_MAX
- hbe_NONE = HBEvalType.hbe_NONE
- hbe_UNKNOWN = HBEvalType.hbe_UNKNOWN
- hbe_WATERaPROTEIN_BB_AMIDE = HBEvalType.hbe_WATERaPROTEIN_BB_AMIDE
- hbe_dAHXaAHX = HBEvalType.hbe_dAROMATIC_HYDROXYLaAROMATIC_HYDROXYL
- hbe_dAHXaCXA = HBEvalType.hbe_dAROMATIC_HYDROXYLaCARBOXAMIDE
- hbe_dAHXaCXL = HBEvalType.hbe_dAROMATIC_HYDROXYLaCARBOXYL
- hbe_dAHXaH2O = HBEvalType.hbe_dAROMATIC_HYDROXYLaWATER
- hbe_dAHXaHXL = HBEvalType.hbe_dAROMATIC_HYDROXYLaHYDROXYL
- hbe_dAHXaIMD = HBEvalType.hbe_dAROMATIC_HYDROXYLaIMIDAZOL_DELTA
- hbe_dAHXaIME = HBEvalType.hbe_dAROMATIC_HYDROXYLaIMIDAZOL_EPSILON
- hbe_dAHXaPBAsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaPROTEIN_BB_AMIDEsepPM1
- hbe_dAHXaPBAsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaPROTEIN_BB_AMIDEsepother
- hbe_dAHXaPCA_DNA = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_DNA
- hbe_dAHXaPCA_RNAsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dAHXaPCA_RNAsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dAHXaPES_DNA = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_DNA
- hbe_dAHXaPES_RNAsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dAHXaPES_RNAsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_RNAsepother
- hbe_dAHXaRRI_DNA = HBEvalType.hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_DNA
- hbe_dAHXaRRI_RNAsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_RNAsepPM1
- hbe_dAHXaRRI_RNAsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_RNAsepother
- hbe_dAMINOaAROMATIC_HYDROXYL = HBEvalType.hbe_dAMINOaAROMATIC_HYDROXYL
- hbe_dAMINOaCARBOXAMIDE = HBEvalType.hbe_dAMINOaCARBOXAMIDE
- hbe_dAMINOaCARBOXYL = HBEvalType.hbe_dAMINOaCARBOXYL
- hbe_dAMINOaHYDROXYL = HBEvalType.hbe_dAMINOaHYDROXYL
- hbe_dAMINOaIMIDAZOL_DELTA = HBEvalType.hbe_dAMINOaIMIDAZOL_DELTA
- hbe_dAMINOaIMIDAZOL_EPSILON = HBEvalType.hbe_dAMINOaIMIDAZOL_EPSILON
- hbe_dAMINOaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dAMINOaPHOSPHATE_CARBONYL_DNA
- hbe_dAMINOaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dAMINOaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dAMINOaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dAMINOaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dAMINOaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dAMINOaPHOSPHATE_ESTER_DNA
- hbe_dAMINOaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dAMINOaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dAMINOaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dAMINOaPHOSPHATE_ESTER_RNAsepother
- hbe_dAMINOaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dAMINOaPROTEIN_BB_AMIDEsepPM1
- hbe_dAMINOaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dAMINOaPROTEIN_BB_AMIDEsepother
- hbe_dAMINOaRIBOSE_RING_DNA = HBEvalType.hbe_dAMINOaRIBOSE_RING_DNA
- hbe_dAMINOaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dAMINOaRIBOSE_RING_RNAsepPM1
- hbe_dAMINOaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dAMINOaRIBOSE_RING_RNAsepother
- hbe_dAMINOaWATER = HBEvalType.hbe_dAMINOaWATER
- hbe_dAMOaAHX = HBEvalType.hbe_dAMINOaAROMATIC_HYDROXYL
- hbe_dAMOaCXA = HBEvalType.hbe_dAMINOaCARBOXAMIDE
- hbe_dAMOaCXL = HBEvalType.hbe_dAMINOaCARBOXYL
- hbe_dAMOaH2O = HBEvalType.hbe_dAMINOaWATER
- hbe_dAMOaHXL = HBEvalType.hbe_dAMINOaHYDROXYL
- hbe_dAMOaIMD = HBEvalType.hbe_dAMINOaIMIDAZOL_DELTA
- hbe_dAMOaIME = HBEvalType.hbe_dAMINOaIMIDAZOL_EPSILON
- hbe_dAMOaPBAsepPM1 = HBEvalType.hbe_dAMINOaPROTEIN_BB_AMIDEsepPM1
- hbe_dAMOaPBAsepother = HBEvalType.hbe_dAMINOaPROTEIN_BB_AMIDEsepother
- hbe_dAMOaPCA_DNA = HBEvalType.hbe_dAMINOaPHOSPHATE_CARBONYL_DNA
- hbe_dAMOaPCA_RNAsepPM1 = HBEvalType.hbe_dAMINOaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dAMOaPCA_RNAsepother = HBEvalType.hbe_dAMINOaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dAMOaPES_DNA = HBEvalType.hbe_dAMINOaPHOSPHATE_ESTER_DNA
- hbe_dAMOaPES_RNAsepPM1 = HBEvalType.hbe_dAMINOaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dAMOaPES_RNAsepother = HBEvalType.hbe_dAMINOaPHOSPHATE_ESTER_RNAsepother
- hbe_dAMOaRRI_DNA = HBEvalType.hbe_dAMINOaRIBOSE_RING_DNA
- hbe_dAMOaRRI_RNAsepPM1 = HBEvalType.hbe_dAMINOaRIBOSE_RING_RNAsepPM1
- hbe_dAMOaRRI_RNAsepother = HBEvalType.hbe_dAMINOaRIBOSE_RING_RNAsepother
- hbe_dAROMATIC_HYDROXYLaAROMATIC_HYDROXYL = HBEvalType.hbe_dAROMATIC_HYDROXYLaAROMATIC_HYDROXYL
- hbe_dAROMATIC_HYDROXYLaCARBOXAMIDE = HBEvalType.hbe_dAROMATIC_HYDROXYLaCARBOXAMIDE
- hbe_dAROMATIC_HYDROXYLaCARBOXYL = HBEvalType.hbe_dAROMATIC_HYDROXYLaCARBOXYL
- hbe_dAROMATIC_HYDROXYLaHYDROXYL = HBEvalType.hbe_dAROMATIC_HYDROXYLaHYDROXYL
- hbe_dAROMATIC_HYDROXYLaIMIDAZOL_DELTA = HBEvalType.hbe_dAROMATIC_HYDROXYLaIMIDAZOL_DELTA
- hbe_dAROMATIC_HYDROXYLaIMIDAZOL_EPSILON = HBEvalType.hbe_dAROMATIC_HYDROXYLaIMIDAZOL_EPSILON
- hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_DNA
- hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_DNA
- hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaPHOSPHATE_ESTER_RNAsepother
- hbe_dAROMATIC_HYDROXYLaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaPROTEIN_BB_AMIDEsepPM1
- hbe_dAROMATIC_HYDROXYLaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaPROTEIN_BB_AMIDEsepother
- hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_DNA = HBEvalType.hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_DNA
- hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_RNAsepPM1
- hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dAROMATIC_HYDROXYLaRIBOSE_RING_RNAsepother
- hbe_dAROMATIC_HYDROXYLaWATER = HBEvalType.hbe_dAROMATIC_HYDROXYLaWATER
- hbe_dCARBOXAMIDEaAROMATIC_HYDROXYL = HBEvalType.hbe_dCARBOXAMIDEaAROMATIC_HYDROXYL
- hbe_dCARBOXAMIDEaCARBOXAMIDE = HBEvalType.hbe_dCARBOXAMIDEaCARBOXAMIDE
- hbe_dCARBOXAMIDEaCARBOXYL = HBEvalType.hbe_dCARBOXAMIDEaCARBOXYL
- hbe_dCARBOXAMIDEaHYDROXYL = HBEvalType.hbe_dCARBOXAMIDEaHYDROXYL
- hbe_dCARBOXAMIDEaIMIDAZOL_DELTA = HBEvalType.hbe_dCARBOXAMIDEaIMIDAZOL_DELTA
- hbe_dCARBOXAMIDEaIMIDAZOL_EPSILON = HBEvalType.hbe_dCARBOXAMIDEaIMIDAZOL_EPSILON
- hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_DNA
- hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_DNA
- hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_RNAsepother
- hbe_dCARBOXAMIDEaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaPROTEIN_BB_AMIDEsepPM1
- hbe_dCARBOXAMIDEaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dCARBOXAMIDEaPROTEIN_BB_AMIDEsepother
- hbe_dCARBOXAMIDEaRIBOSE_RING_DNA = HBEvalType.hbe_dCARBOXAMIDEaRIBOSE_RING_DNA
- hbe_dCARBOXAMIDEaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaRIBOSE_RING_RNAsepPM1
- hbe_dCARBOXAMIDEaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dCARBOXAMIDEaRIBOSE_RING_RNAsepother
- hbe_dCARBOXAMIDEaWATER = HBEvalType.hbe_dCARBOXAMIDEaWATER
- hbe_dCXAaAHX = HBEvalType.hbe_dCARBOXAMIDEaAROMATIC_HYDROXYL
- hbe_dCXAaCXA = HBEvalType.hbe_dCARBOXAMIDEaCARBOXAMIDE
- hbe_dCXAaCXL = HBEvalType.hbe_dCARBOXAMIDEaCARBOXYL
- hbe_dCXAaH2O = HBEvalType.hbe_dCARBOXAMIDEaWATER
- hbe_dCXAaHXL = HBEvalType.hbe_dCARBOXAMIDEaHYDROXYL
- hbe_dCXAaIMD = HBEvalType.hbe_dCARBOXAMIDEaIMIDAZOL_DELTA
- hbe_dCXAaIME = HBEvalType.hbe_dCARBOXAMIDEaIMIDAZOL_EPSILON
- hbe_dCXAaPBAsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaPROTEIN_BB_AMIDEsepPM1
- hbe_dCXAaPBAsepother = HBEvalType.hbe_dCARBOXAMIDEaPROTEIN_BB_AMIDEsepother
- hbe_dCXAaPCA_DNA = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_DNA
- hbe_dCXAaPCA_RNAsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dCXAaPCA_RNAsepother = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dCXAaPES_DNA = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_DNA
- hbe_dCXAaPES_RNAsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dCXAaPES_RNAsepother = HBEvalType.hbe_dCARBOXAMIDEaPHOSPHATE_ESTER_RNAsepother
- hbe_dCXAaRRI_DNA = HBEvalType.hbe_dCARBOXAMIDEaRIBOSE_RING_DNA
- hbe_dCXAaRRI_RNAsepPM1 = HBEvalType.hbe_dCARBOXAMIDEaRIBOSE_RING_RNAsepPM1
- hbe_dCXAaRRI_RNAsepother = HBEvalType.hbe_dCARBOXAMIDEaRIBOSE_RING_RNAsepother
- hbe_dDIHYDRO_GUANIDINIUMaAROMATIC_HYDROXYL = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaAROMATIC_HYDROXYL
- hbe_dDIHYDRO_GUANIDINIUMaCARBOXAMIDE = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaCARBOXAMIDE
- hbe_dDIHYDRO_GUANIDINIUMaCARBOXYL = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaCARBOXYL
- hbe_dDIHYDRO_GUANIDINIUMaHYDROXYL = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaHYDROXYL
- hbe_dDIHYDRO_GUANIDINIUMaIMIDAZOL_DELTA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaIMIDAZOL_DELTA
- hbe_dDIHYDRO_GUANIDINIUMaIMIDAZOL_EPSILON = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaIMIDAZOL_EPSILON
- hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_DNA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_DNA
- hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_RNAsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_RNAsepPM1
- hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_RNAsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_RNAsepother
- hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_DNA
- hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_RNAsepother
- hbe_dDIHYDRO_GUANIDINIUMaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPROTEIN_BB_AMIDEsepPM1
- hbe_dDIHYDRO_GUANIDINIUMaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPROTEIN_BB_AMIDEsepother
- hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_DNA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_DNA
- hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_RNAsepPM1
- hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_RNAsepother
- hbe_dDIHYDRO_GUANIDINIUMaWATER = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaWATER
- hbe_dGDEaAHX = HBEvalType.hbe_dGUANIDINIUM_EPSILONaAROMATIC_HYDROXYL
- hbe_dGDEaCXA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaCARBOXAMIDE
- hbe_dGDEaCXL = HBEvalType.hbe_dGUANIDINIUM_EPSILONaCARBOXYL
- hbe_dGDEaH2O = HBEvalType.hbe_dGUANIDINIUM_EPSILONaWATER
- hbe_dGDEaHXL = HBEvalType.hbe_dGUANIDINIUM_EPSILONaHYDROXYL
- hbe_dGDEaIMD = HBEvalType.hbe_dGUANIDINIUM_EPSILONaIMIDAZOL_DELTA
- hbe_dGDEaIME = HBEvalType.hbe_dGUANIDINIUM_EPSILONaIMIDAZOL_EPSILON
- hbe_dGDEaPBAsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPROTEIN_BB_AMIDEsepPM1
- hbe_dGDEaPBAsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPROTEIN_BB_AMIDEsepother
- hbe_dGDEaPCA_DNA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_DNA
- hbe_dGDEaPCA_RNAsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dGDEaPCA_RNAsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dGDEaPES_DNA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_DNA
- hbe_dGDEaPES_RNAsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dGDEaPES_RNAsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_RNAsepother
- hbe_dGDEaRRI_DNA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_DNA
- hbe_dGDEaRRI_RNAsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_RNAsepPM1
- hbe_dGDEaRRI_RNAsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_RNAsepother
- hbe_dGDHaAHX = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaAROMATIC_HYDROXYL
- hbe_dGDHaCXA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaCARBOXAMIDE
- hbe_dGDHaCXL = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaCARBOXYL
- hbe_dGDHaH2O = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaWATER
- hbe_dGDHaHXL = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaHYDROXYL
- hbe_dGDHaIMD = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaIMIDAZOL_DELTA
- hbe_dGDHaIME = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaIMIDAZOL_EPSILON
- hbe_dGDHaPBAsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPROTEIN_BB_AMIDEsepPM1
- hbe_dGDHaPBAsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPROTEIN_BB_AMIDEsepother
- hbe_dGDHaPCA_DNA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_DNA
- hbe_dGDHaPCA_RNAsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_RNAsepPM1
- hbe_dGDHaPCA_RNAsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_CARBONY_RNAsepother
- hbe_dGDHaPES_DNA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_DNA
- hbe_dGDHaPES_RNAsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dGDHaPES_RNAsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaPHOSPHATE_ESTER_RNAsepother
- hbe_dGDHaRRI_DNA = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_DNA
- hbe_dGDHaRRI_RNAsepPM1 = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_RNAsepPM1
- hbe_dGDHaRRI_RNAsepother = HBEvalType.hbe_dDIHYDRO_GUANIDINIUMaRIBOSE_RING_RNAsepother
- hbe_dGUANIDINIUM_EPSILONaAROMATIC_HYDROXYL = HBEvalType.hbe_dGUANIDINIUM_EPSILONaAROMATIC_HYDROXYL
- hbe_dGUANIDINIUM_EPSILONaCARBOXAMIDE = HBEvalType.hbe_dGUANIDINIUM_EPSILONaCARBOXAMIDE
- hbe_dGUANIDINIUM_EPSILONaCARBOXYL = HBEvalType.hbe_dGUANIDINIUM_EPSILONaCARBOXYL
- hbe_dGUANIDINIUM_EPSILONaHYDROXYL = HBEvalType.hbe_dGUANIDINIUM_EPSILONaHYDROXYL
- hbe_dGUANIDINIUM_EPSILONaIMIDAZOL_DELTA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaIMIDAZOL_DELTA
- hbe_dGUANIDINIUM_EPSILONaIMIDAZOL_EPSILON = HBEvalType.hbe_dGUANIDINIUM_EPSILONaIMIDAZOL_EPSILON
- hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_DNA
- hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_DNA
- hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPHOSPHATE_ESTER_RNAsepother
- hbe_dGUANIDINIUM_EPSILONaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPROTEIN_BB_AMIDEsepPM1
- hbe_dGUANIDINIUM_EPSILONaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaPROTEIN_BB_AMIDEsepother
- hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_DNA = HBEvalType.hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_DNA
- hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_RNAsepPM1
- hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dGUANIDINIUM_EPSILONaRIBOSE_RING_RNAsepother
- hbe_dGUANIDINIUM_EPSILONaWATER = HBEvalType.hbe_dGUANIDINIUM_EPSILONaWATER
- hbe_dH2OaAHX = HBEvalType.hbe_dWATERaAROMATIC_HYDROXYL
- hbe_dH2OaCXA = HBEvalType.hbe_dWATERaCARBOXAMIDE
- hbe_dH2OaCXL = HBEvalType.hbe_dWATERaCARBOXYL
- hbe_dH2OaH2O = HBEvalType.hbe_dWATERaWATER
- hbe_dH2OaHXL = HBEvalType.hbe_dWATERaHYDROXYL
- hbe_dH2OaIMD = HBEvalType.hbe_dWATERaIMIDAZOL_DELTA
- hbe_dH2OaIME = HBEvalType.hbe_dWATERaIMIDAZOL_EPSILON
- hbe_dH2OaPBA = HBEvalType.hbe_WATERaPROTEIN_BB_AMIDE
- hbe_dH2OaPCA_DNA = HBEvalType.hbe_dWATERaPHOSPHATE_CARBONYL_DNA
- hbe_dH2OaPCA_RNA = HBEvalType.hbe_dWATERaPHOSPHATE_CARBONYL_RNA
- hbe_dH2OaPES_DNA = HBEvalType.hbe_dWATERaPHOSPHATE_ESTER_DNA
- hbe_dH2OaPES_RNA = HBEvalType.hbe_dWATERaPHOSPHATE_ESTER_RNAsepother
- hbe_dH2OaRRI_DNA = HBEvalType.hbe_dWATERaRIBOSE_RING_DNA
- hbe_dH2OaRRI_RNA = HBEvalType.hbe_dWATERaRIBOSE_RING_RNAsepother
- hbe_dHXLaAHX = HBEvalType.hbe_dHYDROXYLaAROMATIC_HYDROXYL
- hbe_dHXLaCXA = HBEvalType.hbe_dHYDROXYLaCARBOXAMIDE
- hbe_dHXLaCXL = HBEvalType.hbe_dHYDROXYLaCARBOXYL
- hbe_dHXLaH2O = HBEvalType.hbe_dHYDROXYLaWATER
- hbe_dHXLaHXL = HBEvalType.hbe_dHYDROXYLaHYDROXYL
- hbe_dHXLaIMD = HBEvalType.hbe_dHYDROXYLaIMIDAZOL_DELTA
- hbe_dHXLaIME = HBEvalType.hbe_dHYDROXYLaIMIDAZOL_EPSILON
- hbe_dHXLaPBAsepPM1 = HBEvalType.hbe_dHYDROXYLaPROTEIN_BB_AMIDEsepPM1
- hbe_dHXLaPBAsepother = HBEvalType.hbe_dHYDROXYLaPROTEIN_BB_AMIDEsepother
- hbe_dHXLaPCA_DNA = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_CARBONYL_DNA
- hbe_dHXLaPCA_RNAsepPM1 = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dHXLaPCA_RNAsepother = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dHXLaPES_DNA = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_ESTER_DNA
- hbe_dHXLaPES_RNAsepPM1 = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dHXLaPES_RNAsepother = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_ESTER_RNAsepother
- hbe_dHXLaRRI_DNA = HBEvalType.hbe_dHYDROXYLaRIBOSE_RING_DNA
- hbe_dHXLaRRI_RNAsepPM1 = HBEvalType.hbe_dHYDROXYLaRIBOSE_RING_RNAsepPM1
- hbe_dHXLaRRI_RNAsepother = HBEvalType.hbe_dHYDROXYLaRIBOSE_RING_RNAsepother
- hbe_dHYDROXYLaAROMATIC_HYDROXYL = HBEvalType.hbe_dHYDROXYLaAROMATIC_HYDROXYL
- hbe_dHYDROXYLaCARBOXAMIDE = HBEvalType.hbe_dHYDROXYLaCARBOXAMIDE
- hbe_dHYDROXYLaCARBOXYL = HBEvalType.hbe_dHYDROXYLaCARBOXYL
- hbe_dHYDROXYLaHYDROXYL = HBEvalType.hbe_dHYDROXYLaHYDROXYL
- hbe_dHYDROXYLaIMIDAZOL_DELTA = HBEvalType.hbe_dHYDROXYLaIMIDAZOL_DELTA
- hbe_dHYDROXYLaIMIDAZOL_EPSILON = HBEvalType.hbe_dHYDROXYLaIMIDAZOL_EPSILON
- hbe_dHYDROXYLaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_CARBONYL_DNA
- hbe_dHYDROXYLaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dHYDROXYLaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dHYDROXYLaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_ESTER_DNA
- hbe_dHYDROXYLaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dHYDROXYLaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dHYDROXYLaPHOSPHATE_ESTER_RNAsepother
- hbe_dHYDROXYLaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dHYDROXYLaPROTEIN_BB_AMIDEsepPM1
- hbe_dHYDROXYLaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dHYDROXYLaPROTEIN_BB_AMIDEsepother
- hbe_dHYDROXYLaRIBOSE_RING_DNA = HBEvalType.hbe_dHYDROXYLaRIBOSE_RING_DNA
- hbe_dHYDROXYLaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dHYDROXYLaRIBOSE_RING_RNAsepPM1
- hbe_dHYDROXYLaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dHYDROXYLaRIBOSE_RING_RNAsepother
- hbe_dHYDROXYLaWATER = HBEvalType.hbe_dHYDROXYLaWATER
- hbe_dIMDaAHX = HBEvalType.hbe_dIMIDAZOL_DELTAaAROMATIC_HYDROXYL
- hbe_dIMDaCXA = HBEvalType.hbe_dIMIDAZOL_DELTAaCARBOXAMIDE
- hbe_dIMDaCXL = HBEvalType.hbe_dIMIDAZOL_DELTAaCARBOXYL
- hbe_dIMDaH2O = HBEvalType.hbe_dIMIDAZOL_DELTAaWATER
- hbe_dIMDaHXL = HBEvalType.hbe_dIMIDAZOL_DELTAaHYDROXYL
- hbe_dIMDaIMD = HBEvalType.hbe_dIMIDAZOL_DELTAaIMIDAZOL_DELTA
- hbe_dIMDaIME = HBEvalType.hbe_dIMIDAZOL_DELTAaIMIDAZOL_EPSILON
- hbe_dIMDaPBAsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaPROTEIN_BB_AMIDEsepPM1
- hbe_dIMDaPBAsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaPROTEIN_BB_AMIDEsepother
- hbe_dIMDaPCA_DNA = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_DNA
- hbe_dIMDaPCA_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dIMDaPCA_RNAsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dIMDaPES_DNA = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_DNA
- hbe_dIMDaPES_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dIMDaPES_RNAsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_RNAsepother
- hbe_dIMDaRRI_DNA = HBEvalType.hbe_dIMIDAZOL_DELTAaRIBOSE_RING_DNA
- hbe_dIMDaRRI_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaRIBOSE_RING_RNAsepPM1
- hbe_dIMDaRRI_RNAsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaRIBOSE_RING_RNAsepother
- hbe_dIMEaAHX = HBEvalType.hbe_dIMIDAZOL_EPSILONaAROMATIC_HYDROXYL
- hbe_dIMEaCXA = HBEvalType.hbe_dIMIDAZOL_EPSILONaCARBOXAMIDE
- hbe_dIMEaCXL = HBEvalType.hbe_dIMIDAZOL_EPSILONaCARBOXYL
- hbe_dIMEaH2O = HBEvalType.hbe_dIMIDAZOL_EPSILONaWATER
- hbe_dIMEaHXL = HBEvalType.hbe_dIMIDAZOL_EPSILONaHYDXROXYL
- hbe_dIMEaIMD = HBEvalType.hbe_dIMIDAZOL_EPSILONaIMIDAZOL_DELTA
- hbe_dIMEaIME = HBEvalType.hbe_dIMIDAZOL_EPSILONaIMIDAZOL_EPSILON
- hbe_dIMEaPBAsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaPROTEIN_BB_AMIDEsepPM1
- hbe_dIMEaPBAsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaPROTEIN_BB_AMIDEsepother
- hbe_dIMEaPCA_DNA = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_DNA
- hbe_dIMEaPCA_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dIMEaPCA_RNAsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dIMEaPES_DNA = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_DNA
- hbe_dIMEaPES_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dIMEaPES_RNAsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_RNAsepother
- hbe_dIMEaRRI_DNA = HBEvalType.hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_DNA
- hbe_dIMEaRRI_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_RNAsepPM1
- hbe_dIMEaRRI_RNAsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_RNAsepother
- hbe_dIMIDAZOL_DELTAaAROMATIC_HYDROXYL = HBEvalType.hbe_dIMIDAZOL_DELTAaAROMATIC_HYDROXYL
- hbe_dIMIDAZOL_DELTAaCARBOXAMIDE = HBEvalType.hbe_dIMIDAZOL_DELTAaCARBOXAMIDE
- hbe_dIMIDAZOL_DELTAaCARBOXYL = HBEvalType.hbe_dIMIDAZOL_DELTAaCARBOXYL
- hbe_dIMIDAZOL_DELTAaHYDROXYL = HBEvalType.hbe_dIMIDAZOL_DELTAaHYDROXYL
- hbe_dIMIDAZOL_DELTAaIMIDAZOL_DELTA = HBEvalType.hbe_dIMIDAZOL_DELTAaIMIDAZOL_DELTA
- hbe_dIMIDAZOL_DELTAaIMIDAZOL_EPSILON = HBEvalType.hbe_dIMIDAZOL_DELTAaIMIDAZOL_EPSILON
- hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_DNA
- hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_DNA
- hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaPHOSPHATE_ESTER_RNAsepother
- hbe_dIMIDAZOL_DELTAaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaPROTEIN_BB_AMIDEsepPM1
- hbe_dIMIDAZOL_DELTAaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaPROTEIN_BB_AMIDEsepother
- hbe_dIMIDAZOL_DELTAaRIBOSE_RING_DNA = HBEvalType.hbe_dIMIDAZOL_DELTAaRIBOSE_RING_DNA
- hbe_dIMIDAZOL_DELTAaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_DELTAaRIBOSE_RING_RNAsepPM1
- hbe_dIMIDAZOL_DELTAaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dIMIDAZOL_DELTAaRIBOSE_RING_RNAsepother
- hbe_dIMIDAZOL_DELTAaWATER = HBEvalType.hbe_dIMIDAZOL_DELTAaWATER
- hbe_dIMIDAZOL_EPSILONaAROMATIC_HYDROXYL = HBEvalType.hbe_dIMIDAZOL_EPSILONaAROMATIC_HYDROXYL
- hbe_dIMIDAZOL_EPSILONaCARBOXAMIDE = HBEvalType.hbe_dIMIDAZOL_EPSILONaCARBOXAMIDE
- hbe_dIMIDAZOL_EPSILONaCARBOXYL = HBEvalType.hbe_dIMIDAZOL_EPSILONaCARBOXYL
- hbe_dIMIDAZOL_EPSILONaHYDXROXYL = HBEvalType.hbe_dIMIDAZOL_EPSILONaHYDXROXYL
- hbe_dIMIDAZOL_EPSILONaIMIDAZOL_DELTA = HBEvalType.hbe_dIMIDAZOL_EPSILONaIMIDAZOL_DELTA
- hbe_dIMIDAZOL_EPSILONaIMIDAZOL_EPSILON = HBEvalType.hbe_dIMIDAZOL_EPSILONaIMIDAZOL_EPSILON
- hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_DNA
- hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_DNA
- hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaPHOSPHATE_ESTER_RNAsepother
- hbe_dIMIDAZOL_EPSILONaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaPROTEIN_BB_AMIDEsepPM1
- hbe_dIMIDAZOL_EPSILONaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaPROTEIN_BB_AMIDEsepother
- hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_DNA = HBEvalType.hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_DNA
- hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_RNAsepPM1
- hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dIMIDAZOL_EPSILONaRIBOSE_RING_RNAsepother
- hbe_dIMIDAZOL_EPSILONaWATER = HBEvalType.hbe_dIMIDAZOL_EPSILONaWATER
- hbe_dINDOLaAROMATIC_HYDROXYL = HBEvalType.hbe_dINDOLaAROMATIC_HYDROXYL
- hbe_dINDOLaCARBOXAMIDE = HBEvalType.hbe_dINDOLaCARBOXAMIDE
- hbe_dINDOLaCARBOXYL = HBEvalType.hbe_dINDOLaCARBOXYL
- hbe_dINDOLaHYDROXYL = HBEvalType.hbe_dINDOLaHYDROXYL
- hbe_dINDOLaIMIDAZOL_DELTA = HBEvalType.hbe_dINDOLaIMIDAZOL_DELTA
- hbe_dINDOLaIMIDAZOL_EPSILON = HBEvalType.hbe_dINDOLaIMIDAZOL_EPSILON
- hbe_dINDOLaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dINDOLaPHOSPHATE_CARBONYL_DNA
- hbe_dINDOLaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dINDOLaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dINDOLaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dINDOLaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dINDOLaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dINDOLaPHOSPHATE_ESTER_DNA
- hbe_dINDOLaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dINDOLaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dINDOLaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dINDOLaPHOSPHATE_ESTER_RNAsepother
- hbe_dINDOLaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dINDOLaPROTEIN_BB_AMIDEsepPM1
- hbe_dINDOLaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dINDOLaPROTEIN_BB_AMIDEsepother
- hbe_dINDOLaRIBOSE_RING_DNA = HBEvalType.hbe_dINDOLaRIBOSE_RING_DNA
- hbe_dINDOLaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dINDOLaRIBOSE_RING_RNAsepPM1
- hbe_dINDOLaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dINDOLaRIBOSE_RING_RNAsepother
- hbe_dINDOLaWATER = HBEvalType.hbe_dINDOLaWATER
- hbe_dINDaAHX = HBEvalType.hbe_dINDOLaAROMATIC_HYDROXYL
- hbe_dINDaCXA = HBEvalType.hbe_dINDOLaCARBOXAMIDE
- hbe_dINDaCXL = HBEvalType.hbe_dINDOLaCARBOXYL
- hbe_dINDaH2O = HBEvalType.hbe_dINDOLaWATER
- hbe_dINDaHXL = HBEvalType.hbe_dINDOLaHYDROXYL
- hbe_dINDaIMD = HBEvalType.hbe_dINDOLaIMIDAZOL_DELTA
- hbe_dINDaIME = HBEvalType.hbe_dINDOLaIMIDAZOL_EPSILON
- hbe_dINDaPBAsepPM1 = HBEvalType.hbe_dINDOLaPROTEIN_BB_AMIDEsepPM1
- hbe_dINDaPBAsepother = HBEvalType.hbe_dINDOLaPROTEIN_BB_AMIDEsepother
- hbe_dINDaPCA_DNA = HBEvalType.hbe_dINDOLaPHOSPHATE_CARBONYL_DNA
- hbe_dINDaPCA_RNAsepPM1 = HBEvalType.hbe_dINDOLaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dINDaPCA_RNAsepother = HBEvalType.hbe_dINDOLaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dINDaPES_DNA = HBEvalType.hbe_dINDOLaPHOSPHATE_ESTER_DNA
- hbe_dINDaPES_RNAsepPM1 = HBEvalType.hbe_dINDOLaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dINDaPES_RNAsepother = HBEvalType.hbe_dINDOLaPHOSPHATE_ESTER_RNAsepother
- hbe_dINDaRRI_DNA = HBEvalType.hbe_dINDOLaRIBOSE_RING_DNA
- hbe_dINDaRRI_RNAsepPM1 = HBEvalType.hbe_dINDOLaRIBOSE_RING_RNAsepPM1
- hbe_dINDaRRI_RNAsepother = HBEvalType.hbe_dINDOLaRIBOSE_RING_RNAsepother
- hbe_dPBAaAHXsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaAROMATIC_HYDROXYLsepPM1
- hbe_dPBAaAHXsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaAROMATIC_HYDROXYLsepother
- hbe_dPBAaCXAsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXAMIDEsepPM1
- hbe_dPBAaCXAsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXAMIDEsepother
- hbe_dPBAaCXLsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXYLsepPM1
- hbe_dPBAaCXLsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXYLsepother
- hbe_dPBAaH2O = HBEvalType.hbe_dPROTEIN_BB_AMIDEaWATER
- hbe_dPBAaHXLsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaHYDROXYLsepPM1
- hbe_dPBAaHXLsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaHYDROXYLsepother
- hbe_dPBAaIMDsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_DELTAsepPM1
- hbe_dPBAaIMDsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_DELTAsepother
- hbe_dPBAaIMEsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_EPSILONsepPM1
- hbe_dPBAaIMEsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_EPSILONsepother
- hbe_dPBAaPBAsepM2turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM2turn
- hbe_dPBAaPBAsepM3turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM3turn
- hbe_dPBAaPBAsepM4helix = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM4helix
- hbe_dPBAaPBAsepP2turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP2turn
- hbe_dPBAaPBAsepP3turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP3turn
- hbe_dPBAaPBAsepP4helix = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP4helix
- hbe_dPBAaPBAsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepPM1
- hbe_dPBAaPBAsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepother
- hbe_dPBAaPCA_DNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_DNAsepPM1
- hbe_dPBAaPCA_DNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_DNAsepother
- hbe_dPBAaPCA_RNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dPBAaPCA_RNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dPBAaPES_DNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_DNAsepPM1
- hbe_dPBAaPES_DNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_DNAsepother
- hbe_dPBAaPES_RNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dPBAaPES_RNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_RNAsepother
- hbe_dPBAaRRI_DNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_DNAsepPM1
- hbe_dPBAaRRI_DNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_DNAsepother
- hbe_dPBAaRRI_RNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_RNAsepPM1
- hbe_dPBAaRRI_RNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_RNAsepother
- hbe_dPROTEINS_BB_AMIDEaHYDROXYLsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaHYDROXYLsepPM1
- hbe_dPROTEINS_BB_AMIDEaHYDROXYLsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaHYDROXYLsepother
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_DNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_DNAsepPM1
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_DNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_DNAsepother
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_RNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_RNAsepPM1
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_RNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_CARBONYL_RNAsepother
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_DNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_DNAsepPM1
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_DNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_DNAsepother
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_RNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_RNAsepPM1
- hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaPHOSPHATE_ESTER_RNAsepother
- hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_DNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_DNAsepPM1
- hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_DNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_DNAsepother
- hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_RNAsepPM1 = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_RNAsepPM1
- hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dPROTEINS_BB_AMIDEaRIBOSE_RING_RNAsepother
- hbe_dPROTEIN_BB_AMIDEaAROMATIC_HYDROXYLsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaAROMATIC_HYDROXYLsepPM1
- hbe_dPROTEIN_BB_AMIDEaAROMATIC_HYDROXYLsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaAROMATIC_HYDROXYLsepother
- hbe_dPROTEIN_BB_AMIDEaCARBOXAMIDEsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXAMIDEsepPM1
- hbe_dPROTEIN_BB_AMIDEaCARBOXAMIDEsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXAMIDEsepother
- hbe_dPROTEIN_BB_AMIDEaCARBOXYLsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXYLsepPM1
- hbe_dPROTEIN_BB_AMIDEaCARBOXYLsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaCARBOXYLsepother
- hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_DELTAsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_DELTAsepPM1
- hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_DELTAsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_DELTAsepother
- hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_EPSILONsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_EPSILONsepPM1
- hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_EPSILONsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaIMIDAZOL_EPSILONsepother
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM2turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM2turn
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM3turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM3turn
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM4helix = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepM4helix
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP2turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP2turn
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP3turn = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP3turn
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP4helix = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepP4helix
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepPM1 = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepPM1
- hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepother = HBEvalType.hbe_dPROTEIN_BB_AMIDEaPROTEIN_BB_AMIDEsepother
- hbe_dPROTEIN_BB_AMIDEaWATER = HBEvalType.hbe_dPROTEIN_BB_AMIDEaWATER
- hbe_dWATERaAROMATIC_HYDROXYL = HBEvalType.hbe_dWATERaAROMATIC_HYDROXYL
- hbe_dWATERaCARBOXAMIDE = HBEvalType.hbe_dWATERaCARBOXAMIDE
- hbe_dWATERaCARBOXYL = HBEvalType.hbe_dWATERaCARBOXYL
- hbe_dWATERaHYDROXYL = HBEvalType.hbe_dWATERaHYDROXYL
- hbe_dWATERaIMIDAZOL_DELTA = HBEvalType.hbe_dWATERaIMIDAZOL_DELTA
- hbe_dWATERaIMIDAZOL_EPSILON = HBEvalType.hbe_dWATERaIMIDAZOL_EPSILON
- hbe_dWATERaPHOSPHATE_CARBONYL_DNA = HBEvalType.hbe_dWATERaPHOSPHATE_CARBONYL_DNA
- hbe_dWATERaPHOSPHATE_CARBONYL_RNA = HBEvalType.hbe_dWATERaPHOSPHATE_CARBONYL_RNA
- hbe_dWATERaPHOSPHATE_ESTER_DNA = HBEvalType.hbe_dWATERaPHOSPHATE_ESTER_DNA
- hbe_dWATERaPHOSPHATE_ESTER_RNAsepother = HBEvalType.hbe_dWATERaPHOSPHATE_ESTER_RNAsepother
- hbe_dWATERaRIBOSE_RING_DNA = HBEvalType.hbe_dWATERaRIBOSE_RING_DNA
- hbe_dWATERaRIBOSE_RING_RNAsepother = HBEvalType.hbe_dWATERaRIBOSE_RING_RNAsepother
- hbe_dWATERaWATER = HBEvalType.hbe_dWATERaWATER
|
class HBSeqSep(builtins.object) |
| |
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(rosetta.core.scoring.hbonds.HBSeqSep, rosetta.core.scoring.hbonds.HBSeqSep) -> bool
- __hash__(...) from builtins.PyCapsule
- __hash__(rosetta.core.scoring.hbonds.HBSeqSep) -> int
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.HBSeqSep, int) -> NoneType
2. __init__(rosetta.core.scoring.hbonds.HBSeqSep, int) -> NoneType
- __int__(...) from builtins.PyCapsule
- __int__(rosetta.core.scoring.hbonds.HBSeqSep) -> int
- __ne__(...) from builtins.PyCapsule
- __ne__(rosetta.core.scoring.hbonds.HBSeqSep, rosetta.core.scoring.hbonds.HBSeqSep) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __repr__(...) from builtins.PyCapsule
- __repr__(rosetta.core.scoring.hbonds.HBSeqSep) -> str
Data and other attributes defined here:
- seq_sep_M2 = HBSeqSep.seq_sep_M2
- seq_sep_M3 = HBSeqSep.seq_sep_M3
- seq_sep_M4 = HBSeqSep.seq_sep_M4
- seq_sep_MAX = HBSeqSep.seq_sep_MAX
- seq_sep_P2 = HBSeqSep.seq_sep_P2
- seq_sep_P3 = HBSeqSep.seq_sep_P3
- seq_sep_P4 = HBSeqSep.seq_sep_MAX
- seq_sep_PM1 = HBSeqSep.seq_sep_PM1
- seq_sep_other = HBSeqSep.seq_sep_other
|
class HBond(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.core.scoring.hbonds.HBond, dhatm : int, dhatm_is_protein_backbone : bool, dres_is_protein : bool, dres_is_dna : bool, dhatm_is_backbone : bool, dres : int, aatm : int, aatm_is_protein_backbone : bool, ares_is_protein : bool, ares_is_dna : bool, aatm_is_backbone : bool, ares : int, hbe_tuple : rosetta.core.scoring.hbonds.HBEvalTuple, energy_in : float, weight_in : float, derivs_in : rosetta.core.scoring.hbonds.HBondDerivs) -> NoneType
2. __init__(self : rosetta.core.scoring.hbonds.HBond, : rosetta.core.scoring.hbonds.HBond) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.scoring.hbonds.HBond) -> str
- acc_atm(...) from builtins.PyCapsule
- acc_atm(rosetta.core.scoring.hbonds.HBond) -> int
- acc_atm_is_backbone(...) from builtins.PyCapsule
- acc_atm_is_backbone(rosetta.core.scoring.hbonds.HBond) -> bool
needed for silly allow logic
- acc_atm_is_protein_backbone(...) from builtins.PyCapsule
- acc_atm_is_protein_backbone(rosetta.core.scoring.hbonds.HBond) -> bool
needed for silly allow logic
- acc_res(...) from builtins.PyCapsule
- acc_res(rosetta.core.scoring.hbonds.HBond) -> int
- acc_res_is_dna(...) from builtins.PyCapsule
- acc_res_is_dna(rosetta.core.scoring.hbonds.HBond) -> bool
- acc_res_is_protein(...) from builtins.PyCapsule
- acc_res_is_protein(rosetta.core.scoring.hbonds.HBond) -> bool
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.scoring.hbonds.HBond, : rosetta.core.scoring.hbonds.HBond) -> rosetta.core.scoring.hbonds.HBond
- atom_is_acceptor(...) from builtins.PyCapsule
- atom_is_acceptor(self : rosetta.core.scoring.hbonds.HBond, atom : rosetta.core.id.AtomID) -> bool
- atom_is_donorH(...) from builtins.PyCapsule
- atom_is_donorH(self : rosetta.core.scoring.hbonds.HBond, atom : rosetta.core.id.AtomID) -> bool
- derivs(...) from builtins.PyCapsule
- derivs(rosetta.core.scoring.hbonds.HBond) -> rosetta.core.scoring.hbonds.HBondDerivs
- don_hatm(...) from builtins.PyCapsule
- don_hatm(rosetta.core.scoring.hbonds.HBond) -> int
- don_hatm_is_backbone(...) from builtins.PyCapsule
- don_hatm_is_backbone(rosetta.core.scoring.hbonds.HBond) -> bool
needed for silly allow logic
- don_hatm_is_protein_backbone(...) from builtins.PyCapsule
- don_hatm_is_protein_backbone(rosetta.core.scoring.hbonds.HBond) -> bool
needed for silly allow logic
- don_res(...) from builtins.PyCapsule
- don_res(rosetta.core.scoring.hbonds.HBond) -> int
- don_res_is_dna(...) from builtins.PyCapsule
- don_res_is_dna(rosetta.core.scoring.hbonds.HBond) -> bool
- don_res_is_protein(...) from builtins.PyCapsule
- don_res_is_protein(rosetta.core.scoring.hbonds.HBond) -> bool
- energy(...) from builtins.PyCapsule
- energy(rosetta.core.scoring.hbonds.HBond) -> float
NOTE: this is unweighted energy, see weight() for the weight
- eval_tuple(...) from builtins.PyCapsule
- eval_tuple(rosetta.core.scoring.hbonds.HBond) -> rosetta.core.scoring.hbonds.HBEvalTuple
The HBEvalTuple is a tuple of enums for each dimension of
the evaluation type
- eval_type(...) from builtins.PyCapsule
- eval_type(rosetta.core.scoring.hbonds.HBond) -> rosetta.core.scoring.hbonds.HBEvalType
The HBEval type encodes the evaluation type as a single
enum value
- get_AHDangle(...) from builtins.PyCapsule
- get_AHDangle(self : rosetta.core.scoring.hbonds.HBond, pose : rosetta.core.pose.Pose) -> float
- get_BAHangle(...) from builtins.PyCapsule
- get_BAHangle(self : rosetta.core.scoring.hbonds.HBond, pose : rosetta.core.pose.Pose) -> float
- get_BAtorsion(...) from builtins.PyCapsule
- get_BAtorsion(self : rosetta.core.scoring.hbonds.HBond, pose : rosetta.core.pose.Pose) -> float
- get_HAdist(...) from builtins.PyCapsule
- get_HAdist(self : rosetta.core.scoring.hbonds.HBond, pose : rosetta.core.pose.Pose) -> float
/////////////////////////////////////////////////////////////////////////
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.core.scoring.hbonds.HBond) -> rosetta.core.scoring.hbonds.HBond
self pointers
2. get_self_ptr(rosetta.core.scoring.hbonds.HBond) -> rosetta.core.scoring.hbonds.HBond
- hbond_energy_comparer(...) from builtins.PyCapsule
- hbond_energy_comparer(a : rosetta.core.scoring.hbonds.HBond, b : rosetta.core.scoring.hbonds.HBond) -> bool
////////////////////////////////////////////////////////////////////////////
- show(...) from builtins.PyCapsule
- show(*args, **kwargs)
Overloaded function.
1. show(self : rosetta.core.scoring.hbonds.HBond, pose : rosetta.core.pose.Pose) -> NoneType
2. show(self : rosetta.core.scoring.hbonds.HBond, pose : rosetta.core.pose.Pose, print_header : bool) -> NoneType
- weight(...) from builtins.PyCapsule
- weight(rosetta.core.scoring.hbonds.HBond) -> float
|
class HBondDatabase(builtins.object) |
| |
Methods defined here:
- AHdist_long_fade_lookup(...) from builtins.PyCapsule
- AHdist_long_fade_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> rosetta.core.scoring.hbonds.FadeInterval
find fading function for hbgd_AHdist long
- AHdist_poly_lookup(...) from builtins.PyCapsule
- AHdist_poly_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> core::scoring::hbonds::Polynomial_1d
find polynomial to hbgd_AHdist dimension
- AHdist_short_fade_lookup(...) from builtins.PyCapsule
- AHdist_short_fade_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> rosetta.core.scoring.hbonds.FadeInterval
find fading function for hbgd_AHdist sort
- HBFadeInterval_from_name(...) from builtins.PyCapsule
- HBFadeInterval_from_name(self : rosetta.core.scoring.hbonds.HBondDatabase, name : str) -> rosetta.core.scoring.hbonds.FadeInterval
find polynomial function given name
- HBPoly1D_from_name(...) from builtins.PyCapsule
- HBPoly1D_from_name(self : rosetta.core.scoring.hbonds.HBondDatabase, name : str) -> core::scoring::hbonds::Polynomial_1d
find polynomial function given name
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- acc_strength(...) from builtins.PyCapsule
- acc_strength(self : rosetta.core.scoring.hbonds.HBondDatabase, ac_chem_type : rosetta.core.scoring.hbonds.HBAccChemType) -> float
get the bonding strength of an acceptor group
- chi_poly_lookup(...) from builtins.PyCapsule
- chi_poly_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> core::scoring::hbonds::Polynomial_1d
find polynomial to hbgd_chi dimension
- cosAHD_fade_lookup(...) from builtins.PyCapsule
- cosAHD_fade_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> rosetta.core.scoring.hbonds.FadeInterval
find fading function for hbgd_cosAHD
- cosAHD_long_poly_lookup(...) from builtins.PyCapsule
- cosAHD_long_poly_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> core::scoring::hbonds::Polynomial_1d
find polynomial to hbgd_cosAHD dimension when hbgd_AHdist is long
- cosAHD_short_poly_lookup(...) from builtins.PyCapsule
- cosAHD_short_poly_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> core::scoring::hbonds::Polynomial_1d
find polynomial to hbgd_cosAHD dimension when hbgd_AHdist is short
- cosBAH_fade_lookup(...) from builtins.PyCapsule
- cosBAH_fade_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> rosetta.core.scoring.hbonds.FadeInterval
find fading function for hbgd_cosBAH
- cosBAH_long_poly_lookup(...) from builtins.PyCapsule
- cosBAH_long_poly_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> core::scoring::hbonds::Polynomial_1d
find polynomial to hbgd_cosBAH dimension when hbgd_AHdist is long
- cosBAH_short_poly_lookup(...) from builtins.PyCapsule
- cosBAH_short_poly_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> core::scoring::hbonds::Polynomial_1d
find polynomial to hbgd_cosBAH dimension when hbgd_AHdist is short
- don_strength(...) from builtins.PyCapsule
- don_strength(self : rosetta.core.scoring.hbonds.HBondDatabase, don_chem_type : rosetta.core.scoring.hbonds.HBDonChemType) -> float
get the bonding strength of a donor group
- get_database(...) from builtins.PyCapsule
- get_database(*args, **kwargs)
Overloaded function.
1. get_database() -> rosetta.core.scoring.hbonds.HBondDatabase
only public way to create an HBondDatabase
2. get_database( : str) -> rosetta.core.scoring.hbonds.HBondDatabase
only public way to create an HBondDatabase
- initialize(...) from builtins.PyCapsule
- initialize(rosetta.core.scoring.hbonds.HBondDatabase) -> NoneType
- initialize_HBEval(...) from builtins.PyCapsule
- initialize_HBEval(rosetta.core.scoring.hbonds.HBondDatabase) -> NoneType
read table of evaluation types
- initialize_HBFadeInterval(...) from builtins.PyCapsule
- initialize_HBFadeInterval(rosetta.core.scoring.hbonds.HBondDatabase) -> NoneType
read table of fade intervals
- initialize_HBPoly1D(...) from builtins.PyCapsule
- initialize_HBPoly1D(rosetta.core.scoring.hbonds.HBondDatabase) -> NoneType
read one dimensional polynomial definitions file
- initialize_acc_strength(...) from builtins.PyCapsule
- initialize_acc_strength(rosetta.core.scoring.hbonds.HBondDatabase) -> NoneType
read table of acceptor bonding strengths
- initialize_don_strength(...) from builtins.PyCapsule
- initialize_don_strength(rosetta.core.scoring.hbonds.HBondDatabase) -> NoneType
read table of donor bonding strengths
- initialized(...) from builtins.PyCapsule
- initialized(rosetta.core.scoring.hbonds.HBondDatabase) -> bool
- report_parameter_features(...) from builtins.PyCapsule
- report_parameter_features(self : rosetta.core.scoring.hbonds.HBondDatabase, db_session : rosetta.utility.sql_database.session) -> int
- report_parameter_features_schema_to_db(...) from builtins.PyCapsule
- report_parameter_features_schema_to_db(self : rosetta.core.scoring.hbonds.HBondDatabase, db_session : rosetta.utility.sql_database.session) -> NoneType
- use_incorrect_deriv(...) from builtins.PyCapsule
- use_incorrect_deriv(rosetta.core.scoring.hbonds.HBondDatabase) -> bool
Signal to use deprecated derivitive calculation in
core::scoring::hbonds::hb_energy_deriv_u2(). Once old code has
been modified to support the new behavior, remove this
option. Since the options are not passe directly to to
hb_energy_deriv_u2, access it through the HBondDatabase, rather
then messing with the interfaces for the hb_energy_deriv functions.
- weight_type_lookup(...) from builtins.PyCapsule
- weight_type_lookup(self : rosetta.core.scoring.hbonds.HBondDatabase, hb_eval_type : int) -> rosetta.core.scoring.hbonds.HBondWeightType
find weight type for evaluation type
|
class HBondEnergy(rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy) |
| |
- Method resolution order:
- HBondEnergy
- rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy
- rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy
- rosetta.core.scoring.methods.TwoBodyEnergy
- rosetta.core.scoring.methods.EnergyMethod
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, opts : rosetta.core.scoring.hbonds.HBondOptions) -> NoneType
2. __init__(handle, rosetta.core.scoring.hbonds.HBondEnergy) -> 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.hbonds.HBondEnergy, : rosetta.core.scoring.hbonds.HBondEnergy) -> rosetta.core.scoring.hbonds.HBondEnergy
- atomic_interaction_cutoff(...) from builtins.PyCapsule
- atomic_interaction_cutoff(rosetta.core.scoring.hbonds.HBondEnergy) -> float
- backbone_backbone_energy(...) from builtins.PyCapsule
- backbone_backbone_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
Evaluates the interaction between the backbone of rsd1 and the
backbone of rsd2 and accumulates the unweighted energy.
- backbone_sidechain_energy(...) from builtins.PyCapsule
- backbone_sidechain_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
Evaluates the interaction between the backbone of rsd1 and the
sidechain of rsd2 and accumulates the unweighted energy.
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.scoring.hbonds.HBondEnergy) -> rosetta.core.scoring.methods.EnergyMethod
clone
- defines_intrares_energy(...) from builtins.PyCapsule
- defines_intrares_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, weights : rosetta.core.scoring.EMapVector) -> bool
- defines_score_for_residue_pair(...) from builtins.PyCapsule
- defines_score_for_residue_pair(self : rosetta.core.scoring.hbonds.HBondEnergy, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res_moving_wrt_eachother : bool) -> bool
Returns false if two residues are not moving wrt each other; the two parts
of the HBondEnergy function which are non-pairwise-decomposable are held fixed
during minimization -- the neighbor counts, and the bb/bb hbond availability status.
This means that the hbond-energy function can be efficiently evaluated during minimization.
- divides_backbone_and_sidechain_energetics(...) from builtins.PyCapsule
- divides_backbone_and_sidechain_energetics(rosetta.core.scoring.hbonds.HBondEnergy) -> bool
- drawn_out_heavyatom_hydrogenatom_energy(...) from builtins.PyCapsule
- drawn_out_heavyatom_hydrogenatom_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, at1 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, at2 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, flipped : bool) -> float
- eval_intrares_derivatives(...) from builtins.PyCapsule
- eval_intrares_derivatives(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
- eval_intrares_energy(...) from builtins.PyCapsule
- eval_intrares_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
- eval_residue_pair_derivatives(...) from builtins.PyCapsule
- eval_residue_pair_derivatives(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, : rosetta.core.scoring.ResSingleMinimizationData, : rosetta.core.scoring.ResSingleMinimizationData, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
- evaluate_rotamer_background_energies(...) from builtins.PyCapsule
- evaluate_rotamer_background_energies(self : rosetta.core.scoring.hbonds.HBondEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_vector : rosetta.utility.vector1_float) -> NoneType
- evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
- evaluate_rotamer_pair_energies(self : rosetta.core.scoring.hbonds.HBondEnergy, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
- finalize_total_energy(...) from builtins.PyCapsule
- finalize_total_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, totals : rosetta.core.scoring.EMapVector) -> NoneType
- hbond_derivs_1way(...) from builtins.PyCapsule
- hbond_derivs_1way(self : rosetta.core.scoring.hbonds.HBondEnergy, weights : rosetta.core.scoring.EMapVector, hbond_set : rosetta.core.scoring.hbonds.HBondSet, database : rosetta.core.scoring.hbonds.HBondDatabase, don_rsd : rosetta.core.conformation.Residue, acc_rsd : rosetta.core.conformation.Residue, don_nb : int, acc_nb : int, exclude_bsc : bool, exclude_scb : bool, ssdep_weight_factor : float, don_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, acc_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
- heavyatom_heavyatom_energy(...) from builtins.PyCapsule
- heavyatom_heavyatom_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, at1 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, at2 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, d2 : float, : int) -> float
- heavyatom_hydrogenatom_energy(...) from builtins.PyCapsule
- heavyatom_hydrogenatom_energy(*args, **kwargs)
Overloaded function.
1. heavyatom_hydrogenatom_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, at1 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, at2 : rosetta.core.scoring.hbonds.hbtrie.HBAtom) -> float
2. heavyatom_hydrogenatom_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, at1 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, at2 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, flipped : bool) -> float
- hydrogen_interaction_cutoff2(...) from builtins.PyCapsule
- hydrogen_interaction_cutoff2(rosetta.core.scoring.hbonds.HBondEnergy) -> float
- hydrogenatom_heavyatom_energy(...) from builtins.PyCapsule
- hydrogenatom_heavyatom_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, at1 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, at2 : rosetta.core.scoring.hbonds.hbtrie.HBAtom, : int) -> float
- hydrogenatom_hydrogenatom_energy(...) from builtins.PyCapsule
- hydrogenatom_hydrogenatom_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, : rosetta.core.scoring.hbonds.hbtrie.HBAtom, : rosetta.core.scoring.hbonds.hbtrie.HBAtom, : int) -> float
- indicate_required_context_graphs(...) from builtins.PyCapsule
- indicate_required_context_graphs(self : rosetta.core.scoring.hbonds.HBondEnergy, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
HBondEnergy is context sensitive
- minimize_in_whole_structure_context(...) from builtins.PyCapsule
- minimize_in_whole_structure_context(self : rosetta.core.scoring.hbonds.HBondEnergy, : rosetta.core.pose.Pose) -> bool
- prepare_rotamers_for_packing(...) from builtins.PyCapsule
- prepare_rotamers_for_packing(self : rosetta.core.scoring.hbonds.HBondEnergy, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
- requires_a_setup_for_derivatives_for_residue_pair_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_derivatives_for_residue_pair_opportunity(self : rosetta.core.scoring.hbonds.HBondEnergy, pose : rosetta.core.pose.Pose) -> bool
Construct the set of all hydrogen bonds between two residues before
- residue_pair_energy(...) from builtins.PyCapsule
- residue_pair_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
note that this only evaluates sc-sc and sc-bb energies
- residue_pair_energy_ext(...) from builtins.PyCapsule
- residue_pair_energy_ext(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
Evaluate the energy between a pair of residues during minimization;
during minimization, the bb/bb hbond status is held fixed, so it is possible
to evaluate the bb/bb, bb/sc and sc/sc hydrogen bonds in this function call.
- setup_for_minimizing_for_residue(...) from builtins.PyCapsule
- setup_for_minimizing_for_residue(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res_data_cache : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
Setup the bb/bb hbond presence data for a particular residue -- this data
is taken out of the HbondSet in the Pose.
- setup_for_minimizing_for_residue_pair(...) from builtins.PyCapsule
- setup_for_minimizing_for_residue_pair(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res1_data_cache : rosetta.core.scoring.ResSingleMinimizationData, res2_data_cache : rosetta.core.scoring.ResSingleMinimizationData, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
Link the bb/bb hbond information in the ResidueSingleMinimizationData
to the ResiduePairMinimizationData.
- setup_for_packing(...) from builtins.PyCapsule
- setup_for_packing(self : rosetta.core.scoring.hbonds.HBondEnergy, pose : rosetta.core.pose.Pose, : rosetta.utility.vector1_bool, : rosetta.utility.vector1_bool) -> NoneType
- setup_for_scoring(...) from builtins.PyCapsule
- setup_for_scoring(self : rosetta.core.scoring.hbonds.HBondEnergy, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction) -> NoneType
- sidechain_sidechain_energy(...) from builtins.PyCapsule
- sidechain_sidechain_energy(self : rosetta.core.scoring.hbonds.HBondEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
Evaluates the interaction between the sidechain of rsd1 and the
sidechain of rsd2 and accumulates the unweighted energy.
- update_residue_for_packing(...) from builtins.PyCapsule
- update_residue_for_packing(self : rosetta.core.scoring.hbonds.HBondEnergy, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
- use_extended_residue_pair_energy_interface(...) from builtins.PyCapsule
- use_extended_residue_pair_energy_interface(rosetta.core.scoring.hbonds.HBondEnergy) -> bool
Use the extended residue pair energy interface to distinguish between
score function evaluation during minimization from score function evaluation
during regular scoring.
Methods inherited from rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy:
- method_type(...) from builtins.PyCapsule
- method_type(rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType
Methods inherited from rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy:
- evaluate_rotamer_background_energy_maps(...) from builtins.PyCapsule
- evaluate_rotamer_background_energy_maps(self : rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
Batch computation of rotamer/background energies. Need not be overriden
in derived class -- by default, iterates over all rotamers in the set, and calls
derived class's residue_pair_energy method for each one against the background rotamer
Since short range rotamer pairs may not need calculation, the default method
looks at blocks of residue type pairs and only calls the residue_pair_energy method
if the rotamer pairs are within range
Methods inherited from rosetta.core.scoring.methods.TwoBodyEnergy:
- bump_energy_backbone(...) from builtins.PyCapsule
- bump_energy_backbone(self : rosetta.core.scoring.methods.TwoBodyEnergy, : rosetta.core.conformation.Residue, : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.scoring.EMapVector) -> NoneType
- bump_energy_full(...) from builtins.PyCapsule
- bump_energy_full(self : rosetta.core.scoring.methods.TwoBodyEnergy, : rosetta.core.conformation.Residue, : rosetta.core.conformation.Residue, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.scoring.EMapVector) -> NoneType
- defines_intrares_dof_derivatives(...) from builtins.PyCapsule
- defines_intrares_dof_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, p : rosetta.core.pose.Pose) -> bool
Use the dof_derivative interface for this energy method when
calculating derivatives? It is possible to define both dof_derivatives and
atom-derivatives; they are not mutually exclusive.
- defines_intrares_energy_for_residue(...) from builtins.PyCapsule
- defines_intrares_energy_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, res : rosetta.core.conformation.Residue) -> bool
If a score function defines no intra-residue scores for a particular
residue, then it may opt-out of being asked during minimization to evaluate
the score for this residue.
- eval_intrares_energy_ext(...) from builtins.PyCapsule
- eval_intrares_energy_ext(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, data_cache : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
Evaluate the intra-residue energy for a given residue using the data held within the
ResSingleMinimizationData object. This function should be invoked only on derived instances
of this class if they return "true" in a call to their use_extended_intrares_energy_interface
method. This base class provides a noop implementation for classes that do not implement this
interface, or that do not define intrares energies.
- eval_intraresidue_dof_derivative(...) from builtins.PyCapsule
- eval_intraresidue_dof_derivative(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
Evaluate the DOF derivative for a particular residue. The Pose merely serves as context,
and the input residue is not required to be a member of the Pose.
- evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
- evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, energies : rosetta.utility.vector1_float) -> NoneType
Batch computation of rotamer intrares energies. Need not be overriden in
derived class -- by default, iterates over all rotamers,
and calls derived class's intrares _energy method.
- evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
- evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
Batch computation of rotamer intrares energy map. Need not be overriden in
derived class -- by default, iterates over all rotamers,
and calls derived class's intrares _energy method.
- requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins? Not
all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
in doing so.
- requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
Does this EnergyMethod require the opportunity to examine the residue before scoring begins? Not
all energy methods would. The ScoreFunction will not ask energy methods to examine residues that are uninterested
in doing so.
- requires_a_setup_for_scoring_for_residue_pair_opportunity(...) from builtins.PyCapsule
- requires_a_setup_for_scoring_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins? Not
all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
in doing so.
- setup_for_derivatives_for_residue(...) from builtins.PyCapsule
- setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
Do any setup work necessary before evaluating the derivatives for this residue
- setup_for_derivatives_for_residue_pair(...) from builtins.PyCapsule
- setup_for_derivatives_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
Do any setup work necessary before evaluating the derivatives for this residue pair
- setup_for_scoring_for_residue(...) from builtins.PyCapsule
- setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
Do any setup work should the coordinates of this residue (who is still guaranteed to be
of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically
as to possibly require some amount of setup work before scoring should proceed.
This function is used for both intra-residue setup and pre-inter-residue setup
- setup_for_scoring_for_residue_pair(...) from builtins.PyCapsule
- setup_for_scoring_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be
of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
as to possibly require some amount of setup work before scoring should proceed
- use_extended_intrares_energy_interface(...) from builtins.PyCapsule
- use_extended_intrares_energy_interface(rosetta.core.scoring.methods.TwoBodyEnergy) -> bool
Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy
during minimization routines should return "true" when this function is invoked on them. This
class provides a default "return false" implementation so that classes not desiring to take advantage
of this alternate interface need to do nothing.
Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
- defines_high_order_terms(...) from builtins.PyCapsule
- defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose) -> bool
Should this EnergyMethod have score and derivative evaluation
evaluated both in the context of the whole Pose and in the context
of residue or residue-pairs? This covers scoring terms like env-smooth
wherein the CBeta's get derivatives for increasing the neighbor counts
for surrounding residues, and terms like constraints, which are definable
on arbitrary number of residues (e.g. more than 2); both of these terms
could be used in RTMin, and both should use the residue and residue-pair
evaluation scheme with the MinimizationGraph for the majority of the
work they do. (Now, high-order constraints (3-body or above) will not
be properly evaluated within RTMin.). The default implementation
returns "false".
- eval_atom_derivative(...) from builtins.PyCapsule
- eval_atom_derivative(self : rosetta.core.scoring.methods.EnergyMethod, id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
Evaluate the XYZ derivative for an atom in the pose.
Called during the atomtree derivative calculation, atom_tree_minimize.cc,
through the ScoreFunction::eval_atom_derivative intermediary.
F1 and F2 should not zeroed, rather, this class should accumulate its contribution
from this atom's XYZ derivative
The derivative scheme is based on that of Abe, Braun, Noguti and Go (1984)
"Rapid Calculation of First and Second Derivatives of Conformational Energy with
Respect to Dihedral Angles for Proteins. General Recurrent Equations"
Computers & Chemistry 8(4) pp. 239-247. F1 and F2 correspond roughly to Fa and Ga,
respectively, of equations 7a & 7b in that paper.
- finalize_after_derivatives(...) from builtins.PyCapsule
- finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction) -> NoneType
called at the end of derivatives evaluation
- score_types(...) from builtins.PyCapsule
- score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
Returns the score types that this energy method computes.
- setup_for_derivatives(...) from builtins.PyCapsule
- setup_for_derivatives(self : rosetta.core.scoring.methods.EnergyMethod, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
Called immediately before atom- and DOF-derivatives are calculated
allowing the derived class a chance to prepare for future calls.
- setup_for_minimizing(...) from builtins.PyCapsule
- setup_for_minimizing(self : rosetta.core.scoring.methods.EnergyMethod, : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
Called at the beginning of atom tree minimization, this method
allows the derived class the opportunity to initialize pertinent data
that will be used during minimization. During minimzation, the chemical
structure of the pose is constant, so assumptions on the number of atoms
per residue and their identities are safe so long as the pose's Energies
object's "use_nblist()" method returns true.
- version(...) from builtins.PyCapsule
- version(rosetta.core.scoring.methods.EnergyMethod) -> int
Return the version of the energy method
|
class HBondOptions(builtins.object) |
| |
Methods defined here:
- Mbhbond(...) from builtins.PyCapsule
- Mbhbond(*args, **kwargs)
Overloaded function.
1. Mbhbond(rosetta.core.scoring.hbonds.HBondOptions) -> bool
pba
2. Mbhbond(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
pba
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.HBondOptions) -> NoneType
doc
2. __init__(self : rosetta.core.scoring.hbonds.HBondOptions, params_db_tag : str) -> NoneType
3. __init__(self : rosetta.core.scoring.hbonds.HBondOptions, src : rosetta.core.scoring.hbonds.HBondOptions) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.scoring.hbonds.HBondOptions) -> str
- append_schema_attributes(...) from builtins.PyCapsule
- append_schema_attributes(attributes : rosetta.std.list_utility_tag_XMLSchemaAttribute_std_allocator_utility_tag_XMLSchemaAttribute_t) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.scoring.hbonds.HBondOptions, src : rosetta.core.scoring.hbonds.HBondOptions) -> rosetta.core.scoring.hbonds.HBondOptions
copy operator
- bb_donor_acceptor_check(...) from builtins.PyCapsule
- bb_donor_acceptor_check(*args, **kwargs)
Overloaded function.
1. bb_donor_acceptor_check(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. bb_donor_acceptor_check(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- decompose_bb_hb_into_pair_energies(...) from builtins.PyCapsule
- decompose_bb_hb_into_pair_energies(*args, **kwargs)
Overloaded function.
1. decompose_bb_hb_into_pair_energies(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. decompose_bb_hb_into_pair_energies(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- exclude_DNA_DNA(...) from builtins.PyCapsule
- exclude_DNA_DNA(*args, **kwargs)
Overloaded function.
1. exclude_DNA_DNA(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. exclude_DNA_DNA(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- exclude_intra_res_RNA(...) from builtins.PyCapsule
- exclude_intra_res_RNA(*args, **kwargs)
Overloaded function.
1. exclude_intra_res_RNA(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. exclude_intra_res_RNA(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- exclude_intra_res_protein(...) from builtins.PyCapsule
- exclude_intra_res_protein(*args, **kwargs)
Overloaded function.
1. exclude_intra_res_protein(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. exclude_intra_res_protein(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- exclude_self_hbonds(...) from builtins.PyCapsule
- exclude_self_hbonds(*args, **kwargs)
Overloaded function.
1. exclude_self_hbonds(rosetta.core.scoring.hbonds.HBondOptions) -> bool
Double counted hbonds include:
- Hydrogen bonds to self
- Backbone - sidechain hydrogen bonds where the backbone partner is forming a backbone - backbone hydrogen bond.
Turning off this exclusion rule is useful for collecting statistics on hydrogen bond site satisfaction
2. exclude_self_hbonds(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- fade_energy(...) from builtins.PyCapsule
- fade_energy(*args, **kwargs)
Overloaded function.
1. fade_energy(rosetta.core.scoring.hbonds.HBondOptions) -> bool
Rather than having a strict cutoff of hbond definition at
0, fade the energy smoothly in the range [-0.1, 0.1]. This is
necessary to prevent a discontinuity in the derivative when E=0
that arise because of the additive form of the hbond function.
-corrections:score:hb_fade_energy
Default: false
2. fade_energy(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- hb_env_dep_new_high_nneigh(...) from builtins.PyCapsule
- hb_env_dep_new_high_nneigh(*args, **kwargs)
Overloaded function.
1. hb_env_dep_new_high_nneigh(rosetta.core.scoring.hbonds.HBondOptions) -> float
2. hb_env_dep_new_high_nneigh(self : rosetta.core.scoring.hbonds.HBondOptions, : float) -> NoneType
- hb_env_dep_new_low_nneigh(...) from builtins.PyCapsule
- hb_env_dep_new_low_nneigh(*args, **kwargs)
Overloaded function.
1. hb_env_dep_new_low_nneigh(rosetta.core.scoring.hbonds.HBondOptions) -> float
2. hb_env_dep_new_low_nneigh(self : rosetta.core.scoring.hbonds.HBondOptions, : float) -> NoneType
- hb_env_dep_new_low_scale(...) from builtins.PyCapsule
- hb_env_dep_new_low_scale(*args, **kwargs)
Overloaded function.
1. hb_env_dep_new_low_scale(rosetta.core.scoring.hbonds.HBondOptions) -> float
2. hb_env_dep_new_low_scale(self : rosetta.core.scoring.hbonds.HBondOptions, : float) -> NoneType
- hbond_energy_shift(...) from builtins.PyCapsule
- hbond_energy_shift(*args, **kwargs)
Overloaded function.
1. hbond_energy_shift(rosetta.core.scoring.hbonds.HBondOptions) -> float
2. hbond_energy_shift(self : rosetta.core.scoring.hbonds.HBondOptions, : float) -> NoneType
- initialize_from_options(...) from builtins.PyCapsule
- initialize_from_options(rosetta.core.scoring.hbonds.HBondOptions) -> NoneType
- length_dependent_srbb(...) from builtins.PyCapsule
- length_dependent_srbb(*args, **kwargs)
Overloaded function.
1. length_dependent_srbb(rosetta.core.scoring.hbonds.HBondOptions) -> bool
Enable helix-length-dependent sr bb hbonds
Default: false
2. length_dependent_srbb(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- length_dependent_srbb_highscale(...) from builtins.PyCapsule
- length_dependent_srbb_highscale(*args, **kwargs)
Overloaded function.
1. length_dependent_srbb_highscale(rosetta.core.scoring.hbonds.HBondOptions) -> float
2. length_dependent_srbb_highscale(self : rosetta.core.scoring.hbonds.HBondOptions, setting : float) -> NoneType
- length_dependent_srbb_lowscale(...) from builtins.PyCapsule
- length_dependent_srbb_lowscale(*args, **kwargs)
Overloaded function.
1. length_dependent_srbb_lowscale(rosetta.core.scoring.hbonds.HBondOptions) -> float
2. length_dependent_srbb_lowscale(self : rosetta.core.scoring.hbonds.HBondOptions, setting : float) -> NoneType
- length_dependent_srbb_maxlength(...) from builtins.PyCapsule
- length_dependent_srbb_maxlength(*args, **kwargs)
Overloaded function.
1. length_dependent_srbb_maxlength(rosetta.core.scoring.hbonds.HBondOptions) -> int
2. length_dependent_srbb_maxlength(self : rosetta.core.scoring.hbonds.HBondOptions, setting : int) -> NoneType
- length_dependent_srbb_minlength(...) from builtins.PyCapsule
- length_dependent_srbb_minlength(*args, **kwargs)
Overloaded function.
1. length_dependent_srbb_minlength(rosetta.core.scoring.hbonds.HBondOptions) -> int
2. length_dependent_srbb_minlength(self : rosetta.core.scoring.hbonds.HBondOptions, setting : int) -> NoneType
- measure_sp3acc_BAH_from_hvy(...) from builtins.PyCapsule
- measure_sp3acc_BAH_from_hvy(*args, **kwargs)
Overloaded function.
1. measure_sp3acc_BAH_from_hvy(rosetta.core.scoring.hbonds.HBondOptions) -> bool
When calculating the BAH angle for sp3 hybridized acceptors: true: the angle should be measured
from the heavy-atom base (CB for S/T); false: from the base-2 atom (HG for S/T).
2. measure_sp3acc_BAH_from_hvy(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- mphbond(...) from builtins.PyCapsule
- mphbond(*args, **kwargs)
Overloaded function.
1. mphbond(rosetta.core.scoring.hbonds.HBondOptions) -> bool
Membrane framework hbonding correction
2. mphbond(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- params_database_tag(...) from builtins.PyCapsule
- params_database_tag(*args, **kwargs)
Overloaded function.
1. params_database_tag(self : rosetta.core.scoring.hbonds.HBondOptions, setting : str) -> NoneType
2. params_database_tag(rosetta.core.scoring.hbonds.HBondOptions) -> str
- parse_my_tag(...) from builtins.PyCapsule
- parse_my_tag(self : rosetta.core.scoring.hbonds.HBondOptions, tag : rosetta.utility.tag.Tag) -> NoneType
set hbond options from key value options in a Tag
structure, e.g. from a block in the SCOREFXNS section of a
RosettaScripts file.
- put_intra_into_total(...) from builtins.PyCapsule
- put_intra_into_total(*args, **kwargs)
Overloaded function.
1. put_intra_into_total(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. put_intra_into_total(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- smooth_hb_env_dep(...) from builtins.PyCapsule
- smooth_hb_env_dep(*args, **kwargs)
Overloaded function.
1. smooth_hb_env_dep(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. smooth_hb_env_dep(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- sp2_BAH180_rise(...) from builtins.PyCapsule
- sp2_BAH180_rise(*args, **kwargs)
Overloaded function.
1. sp2_BAH180_rise(rosetta.core.scoring.hbonds.HBondOptions) -> float
Parameter for the sp2 potential that dictates how much worse a head-on hydrogen bond is
relative to one at a BAH angle of 120 degrees. Controlled by the command-line flag
-corrections:score:hb_sp2_BAH180_rise. Default of 0.75.
2. sp2_BAH180_rise(self : rosetta.core.scoring.hbonds.HBondOptions, setting : float) -> NoneType
- sp2_outer_width(...) from builtins.PyCapsule
- sp2_outer_width(*args, **kwargs)
Overloaded function.
1. sp2_outer_width(rosetta.core.scoring.hbonds.HBondOptions) -> float
Parameter for the sp2 potential that dictates the width
between the peak when CHI=0 and BAH=120 to when the BAH is at a
maximum (Units: pi * radians. E.g. 1/3 means the turn off
hbonding when BAH < 60, larger values mean a wider potential).
-corrections:score:hb_sp2_outer_width
Default: 0.357
2. sp2_outer_width(self : rosetta.core.scoring.hbonds.HBondOptions, setting : float) -> NoneType
- use_hb_env_dep(...) from builtins.PyCapsule
- use_hb_env_dep(*args, **kwargs)
Overloaded function.
1. use_hb_env_dep(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. use_hb_env_dep(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- use_hb_env_dep_DNA(...) from builtins.PyCapsule
- use_hb_env_dep_DNA(*args, **kwargs)
Overloaded function.
1. use_hb_env_dep_DNA(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. use_hb_env_dep_DNA(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
- use_hb_env_dep_new(...) from builtins.PyCapsule
- use_hb_env_dep_new(*args, **kwargs)
Overloaded function.
1. use_hb_env_dep_new(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. use_hb_env_dep_new(self : rosetta.core.scoring.hbonds.HBondOptions, : bool) -> NoneType
- use_sp2_chi_penalty(...) from builtins.PyCapsule
- use_sp2_chi_penalty(*args, **kwargs)
Overloaded function.
1. use_sp2_chi_penalty(rosetta.core.scoring.hbonds.HBondOptions) -> bool
2. use_sp2_chi_penalty(self : rosetta.core.scoring.hbonds.HBondOptions, setting : bool) -> NoneType
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class HBondSet(rosetta.basic.datacache.CacheableData) |
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A class that holds Hbond objects and helps setup Hbonds for scoring
For general hydrogen bond information, either use the default or option constructor,
then use the fill methods in hbonds.hh OR use the convenience constructors to detect all Hbonds.
Use the copy constructors to fill HBondSets with the Hydrogen bonds you are interested in. |
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- Method resolution order:
- HBondSet
- rosetta.basic.datacache.CacheableData
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(self : handle, nres : int) -> NoneType
3. __init__(self : handle, options : rosetta.core.scoring.hbonds.HBondOptions) -> NoneType
4. __init__(self : handle, options : rosetta.core.scoring.hbonds.HBondOptions, nres : int) -> NoneType
5. __init__(handle, rosetta.core.pose.Pose) -> NoneType
doc
6. __init__(self : handle, pose : rosetta.core.pose.Pose, bb_only : bool) -> NoneType
7. __init__(handle, rosetta.core.scoring.hbonds.HBondOptions, rosetta.core.pose.Pose) -> NoneType
doc
8. __init__(self : handle, options : rosetta.core.scoring.hbonds.HBondOptions, pose : rosetta.core.pose.Pose, bb_only : bool) -> NoneType
9. __init__(handle, rosetta.core.scoring.hbonds.HBondSet) -> NoneType
10. __init__(self : handle, src : rosetta.core.scoring.hbonds.HBondSet, exclude_list : rosetta.utility.vector1_unsigned_long) -> NoneType
11. __init__(self : handle, src : rosetta.core.scoring.hbonds.HBondSet, residue_mask : rosetta.utility.vector1_bool) -> NoneType
12. __init__(self : handle, src : rosetta.core.scoring.hbonds.HBondSet, seqpos : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.scoring.hbonds.HBondSet) -> str
- acc_bbg_in_bb_bb_hbond(...) from builtins.PyCapsule
- acc_bbg_in_bb_bb_hbond(self : rosetta.core.scoring.hbonds.HBondSet, residue : int) -> bool
is the backbone bone acceptor group in a bb/bb hydrogen bond?
- allow_hbond(...) from builtins.PyCapsule
- allow_hbond(*args, **kwargs)
Overloaded function.
1. allow_hbond(self : rosetta.core.scoring.hbonds.HBondSet, index : int) -> bool
Is this hbond allowed under the bb-bb exclusion scheme?
bb-bb exclusion scheme means that if the query hbond is a sc making a sc-bb hbond with a backbone already involved in a bb-bb hbond, return false
This has been included by default when assessing pose Hbond energies due to Rosetta designing too many ser/thr bifricated hbonds in ss structures.
Part of the reason is that Rosetta currently does NOT treat bifricated hbonds differently - so both hbonds are counted toward the score.
Another reason is that the rotamer library itself favors local bb-sc hbonds.
NOTE: This function is called while evaluating / setting up for energies (get_hbond_energies method in hbonds.hh).
2. allow_hbond(self : rosetta.core.scoring.hbonds.HBondSet, hbond : rosetta.core.scoring.hbonds.HBond) -> bool
- append_hbond(...) from builtins.PyCapsule
- append_hbond(self : rosetta.core.scoring.hbonds.HBondSet, dhatm : int, don_rsd : rosetta.core.conformation.Residue, aatm : int, acc_rsd : rosetta.core.conformation.Residue, hbe_tuple : rosetta.core.scoring.hbonds.HBEvalTuple, energy : float, weight : float, deriv : rosetta.core.scoring.hbonds.HBondDerivs) -> NoneType
Add a new hbond to the list
updates the "hbchk" array as necessary
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.scoring.hbonds.HBondSet, : rosetta.core.scoring.hbonds.HBondSet) -> rosetta.core.scoring.hbonds.HBondSet
- clear(...) from builtins.PyCapsule
- clear(rosetta.core.scoring.hbonds.HBondSet) -> NoneType
Delete all the data
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.scoring.hbonds.HBondSet) -> rosetta.basic.datacache.CacheableData
Clone this object
- copy_bb_donor_acceptor_arrays(...) from builtins.PyCapsule
- copy_bb_donor_acceptor_arrays(self : rosetta.core.scoring.hbonds.HBondSet, src : rosetta.core.scoring.hbonds.HBondSet) -> NoneType
- don_bbg_in_bb_bb_hbond(...) from builtins.PyCapsule
- don_bbg_in_bb_bb_hbond(self : rosetta.core.scoring.hbonds.HBondSet, residue : int) -> bool
is the backbone bone donor group in a bb/bb hydrogen bond?
- hbond(...) from builtins.PyCapsule
- hbond(self : rosetta.core.scoring.hbonds.HBondSet, number : int) -> rosetta.core.scoring.hbonds.HBond
Access hbond
- hbond_cop(...) from builtins.PyCapsule
- hbond_cop(self : rosetta.core.scoring.hbonds.HBondSet, number : int) -> rosetta.core.scoring.hbonds.HBond
Access hbond
- hbond_options(...) from builtins.PyCapsule
- hbond_options(rosetta.core.scoring.hbonds.HBondSet) -> rosetta.core.scoring.hbonds.HBondOptions
Read access to the stored hbond options
- nbrs(...) from builtins.PyCapsule
- nbrs(self : rosetta.core.scoring.hbonds.HBondSet, seqpos : int) -> int
general function for accessing the number of 10A neighbors of a given position set by setup_for_residue_pair_energies.
- nhbonds(...) from builtins.PyCapsule
- nhbonds(*args, **kwargs)
Overloaded function.
1. nhbonds(rosetta.core.scoring.hbonds.HBondSet) -> int
Number of hbonds
2. nhbonds(self : rosetta.core.scoring.hbonds.HBondSet, seqpos : int) -> int
Number of hbonds involving this residue
Excludes 'not allowed' bonds by default. See hbond_allowed function for more info)
3. nhbonds(self : rosetta.core.scoring.hbonds.HBondSet, seqpos : int, include_only_allowed : bool) -> int
Number of hbonds involving this residue
Excludes 'not allowed' bonds by default. See hbond_allowed function for more info)
4. nhbonds(self : rosetta.core.scoring.hbonds.HBondSet, atom : rosetta.core.id.AtomID) -> int
Number of hbonds involving this atom
Excludes 'not allowed' bonds by default. See hbond_allowed function for more info)
5. nhbonds(self : rosetta.core.scoring.hbonds.HBondSet, atom : rosetta.core.id.AtomID, include_only_allowed : bool) -> int
Number of hbonds involving this atom
Excludes 'not allowed' bonds by default. See hbond_allowed function for more info)
- resize_bb_donor_acceptor_arrays(...) from builtins.PyCapsule
- resize_bb_donor_acceptor_arrays(self : rosetta.core.scoring.hbonds.HBondSet, new_dimension : int) -> NoneType
Resize bb info arrays
- set_backbone_backbone_acceptor(...) from builtins.PyCapsule
- set_backbone_backbone_acceptor(self : rosetta.core.scoring.hbonds.HBondSet, residue : int, state : bool) -> NoneType
Manually set the state of backbone-backbone acceptor. Used for symmetry.
- set_backbone_backbone_donor(...) from builtins.PyCapsule
- set_backbone_backbone_donor(self : rosetta.core.scoring.hbonds.HBondSet, residue : int, state : bool) -> NoneType
Manually set the state of backbone-backbone donor. Used for symmetry.
- set_hbond_options(...) from builtins.PyCapsule
- set_hbond_options(self : rosetta.core.scoring.hbonds.HBondSet, options : rosetta.core.scoring.hbonds.HBondOptions) -> NoneType
set the hbond options for this hbond set; clears all hbonds already stored
- set_nbrs(...) from builtins.PyCapsule
- set_nbrs(self : rosetta.core.scoring.hbonds.HBondSet, seqpos : int, value : int) -> NoneType
Used by SymmetricScorFunction. Not sure why. Not for general use.
- setup_for_residue_pair_energies(...) from builtins.PyCapsule
- setup_for_residue_pair_energies(*args, **kwargs)
Overloaded function.
1. setup_for_residue_pair_energies(self : rosetta.core.scoring.hbonds.HBondSet, pose : rosetta.core.pose.Pose) -> NoneType
2. setup_for_residue_pair_energies(self : rosetta.core.scoring.hbonds.HBondSet, pose : rosetta.core.pose.Pose, calculate_derivative : bool) -> NoneType
3. setup_for_residue_pair_energies(self : rosetta.core.scoring.hbonds.HBondSet, pose : rosetta.core.pose.Pose, calculate_derivative : bool, backbone_only : bool) -> NoneType
- show(...) from builtins.PyCapsule
- show(*args, **kwargs)
Overloaded function.
1. show(rosetta.core.scoring.hbonds.HBondSet) -> NoneType
2. show(self : rosetta.core.scoring.hbonds.HBondSet, pose : rosetta.core.pose.Pose) -> NoneType
3. show(self : rosetta.core.scoring.hbonds.HBondSet, pose : rosetta.core.pose.Pose, print_header : bool) -> NoneType
4. show(self : rosetta.core.scoring.hbonds.HBondSet, pose : rosetta.core.pose.Pose, residue : int) -> NoneType
5. show(self : rosetta.core.scoring.hbonds.HBondSet, pose : rosetta.core.pose.Pose, residue : int, print_header : bool) -> NoneType
- sort_by_weighted_energy(...) from builtins.PyCapsule
- sort_by_weighted_energy(rosetta.core.scoring.hbonds.HBondSet) -> NoneType
Methods inherited from rosetta.basic.datacache.CacheableData:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
self pointers
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t
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class HBondWeightType(builtins.object) |
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//////////////////////////////////////////////////////////////////////////////
//// WARNING WARNING WARNING
////
//// if you modify the hbond types please update the strings name
//// in ScoreTypeManager.cc
////
//// WARNING WARNING WARNING
////////////////////////////////////////////////////////////////////////////// |
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Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(rosetta.core.scoring.hbonds.HBondWeightType, rosetta.core.scoring.hbonds.HBondWeightType) -> bool
- __hash__(...) from builtins.PyCapsule
- __hash__(rosetta.core.scoring.hbonds.HBondWeightType) -> int
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.scoring.hbonds.HBondWeightType, int) -> NoneType
2. __init__(rosetta.core.scoring.hbonds.HBondWeightType, int) -> NoneType
- __int__(...) from builtins.PyCapsule
- __int__(rosetta.core.scoring.hbonds.HBondWeightType) -> int
- __ne__(...) from builtins.PyCapsule
- __ne__(rosetta.core.scoring.hbonds.HBondWeightType, rosetta.core.scoring.hbonds.HBondWeightType) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __repr__(...) from builtins.PyCapsule
- __repr__(rosetta.core.scoring.hbonds.HBondWeightType) -> str
Data and other attributes defined here:
- hbw_LR_BB = HBondWeightType.hbw_LR_BB
- hbw_LR_BB_SC = HBondWeightType.hbw_LR_BB_SC
- hbw_MAX = HBondWeightType.hbw_MAX
- hbw_NONE = HBondWeightType.hbw_NONE
- hbw_SC = HBondWeightType.hbw_MAX
- hbw_SR_BB = HBondWeightType.hbw_SR_BB
- hbw_SR_BB_SC = HBondWeightType.hbw_SR_BB_SC
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class Polynomial_1d(rosetta.numeric.Polynomial_1d) |
| |
- Method resolution order:
- Polynomial_1d
- rosetta.numeric.Polynomial_1d
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.core.scoring.hbonds.Polynomial_1d, polynomial_name : str, geometric_dimension : rosetta.core.scoring.hbonds.HBGeoDimType, xmin : float, xmax : float, min_val : float, max_val : float, root1 : float, root2 : float, degree : int, coefficients : rosetta.utility.vector1_double) -> NoneType
2. __init__(self : rosetta.core.scoring.hbonds.Polynomial_1d, src : rosetta.core.scoring.hbonds.Polynomial_1d) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.scoring.hbonds.Polynomial_1d) -> str
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.scoring.hbonds.Polynomial_1d, : rosetta.core.scoring.hbonds.Polynomial_1d) -> rosetta.core.scoring.hbonds.Polynomial_1d
- geometric_dimension(...) from builtins.PyCapsule
- geometric_dimension(rosetta.core.scoring.hbonds.Polynomial_1d) -> rosetta.core.scoring.hbonds.HBGeoDimType
- show_values(...) from builtins.PyCapsule
- show_values(rosetta.core.scoring.hbonds.Polynomial_1d) -> str
Methods inherited from rosetta.numeric.Polynomial_1d:
- __call__(...) from builtins.PyCapsule
- __call__(self : rosetta.numeric.Polynomial_1d, variable : float, value : float, deriv : float) -> NoneType
Evaluate the polynomial and its derivative
- check_invariants(...) from builtins.PyCapsule
- check_invariants(rosetta.numeric.Polynomial_1d) -> NoneType
- coefficients(...) from builtins.PyCapsule
- coefficients(rosetta.numeric.Polynomial_1d) -> rosetta.utility.vector1_double
- degree(...) from builtins.PyCapsule
- degree(rosetta.numeric.Polynomial_1d) -> int
- eval(...) from builtins.PyCapsule
- eval(self : rosetta.numeric.Polynomial_1d, variable : float) -> float
just evaluate the polynomial, w/o derivatives
- max_val(...) from builtins.PyCapsule
- max_val(rosetta.numeric.Polynomial_1d) -> float
- min_val(...) from builtins.PyCapsule
- min_val(rosetta.numeric.Polynomial_1d) -> float
- name(...) from builtins.PyCapsule
- name(rosetta.numeric.Polynomial_1d) -> str
- root1(...) from builtins.PyCapsule
- root1(rosetta.numeric.Polynomial_1d) -> float
- root2(...) from builtins.PyCapsule
- root2(rosetta.numeric.Polynomial_1d) -> float
- xmax(...) from builtins.PyCapsule
- xmax(rosetta.numeric.Polynomial_1d) -> float
- xmin(...) from builtins.PyCapsule
- xmin(rosetta.numeric.Polynomial_1d) -> float
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