Package rosetta :: Package protocols :: Package mpi_refinement :: Module _protocols_mpi_refinement_
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Module _protocols_mpi_refinement_

Classes [hide private]
  Clusterer
protocols/mpi_refinement/Clusterer.hh:30
  ClustererAP
  ClustererCAP
  MPI_Refine_Emperor
protocols/mpi_refinement/MPI_Refine_Emperor.hh:32
  MPI_Refine_EmperorAP
  MPI_Refine_EmperorCAP
  MPI_Refine_Master
protocols/mpi_refinement/MPI_Refine_Master.hh:32
  MPI_Refine_MasterAP
  MPI_Refine_MasterCAP
  MPI_Refinement
protocols/mpi_refinement/MPI_Refinement.hh:34
  MPI_RefinementAP
  MPI_RefinementCAP
  MethodParams
protocols/mpi_refinement/Scheduler.hh:25
  MethodParamsAP
  MethodParamsCAP
  MultiObjective
protocols/mpi_refinement/MultiObjective.hh:36
  MultiObjectiveAP
  MultiObjectiveCAP
  Scheduler
protocols/mpi_refinement/Scheduler.hh:47
  SchedulerAP
  SchedulerCAP
  Serial_Refine
protocols/mpi_refinement/Serial_Refine.hh:32
  Serial_RefineAP
  Serial_RefineCAP
  SingletonBase_T_core_chemical_ChemicalManager_T
SingletonBase is meant to serve as a base class for singleton classes in Rosetta handling the initialization of the singleton in a thread-safe way.
  SingletonBase_T_core_chemical_ChemicalManager_TAP
  SingletonBase_T_core_chemical_ChemicalManager_TCAP
  StructAvrgMover
protocols/mpi_refinement/StructAvrgMover.hh:32
  StructAvrgMoverAP
  StructAvrgMoverCAP
  WorkUnit_CombinePose
///////////////////////////////////////// ///// WorkUnit Combine
  WorkUnit_CombinePoseAP
  WorkUnit_CombinePoseCAP
  WorkUnit_FragInsert
///////////////////////////////////////// ///// WorkUnit FragInsert
  WorkUnit_FragInsertAP
  WorkUnit_FragInsertCAP
  WorkUnit_KicCloser
///////////////////////////////////////// ///// WorkUnit KicCloser
  WorkUnit_KicCloserAP
  WorkUnit_KicCloserCAP
  WorkUnit_LoopHash
///////////////////////////////////////// ///// WorkUnit loophash
  WorkUnit_LoopHashAP
  WorkUnit_LoopHashCAP
  WorkUnit_MD
///////////////////////////////////////// ///// WorkUnit MD
  WorkUnit_MDAP
  WorkUnit_MDCAP
  WorkUnit_NormalMode
///////////////////////////////////////// ///// WorkUnit NormalMode
  WorkUnit_NormalModeAP
  WorkUnit_NormalModeCAP
  WorkUnit_PartialAbinitio
///////////////////////////////////////// ///// WorkUnit PartialAbinitio
  WorkUnit_PartialAbinitioAP
  WorkUnit_PartialAbinitioCAP
  WorkUnit_RamaPerturber
///////////////////////////////////////// ///// WorkUnit RamaPerturber
  WorkUnit_RamaPerturberAP
  WorkUnit_RamaPerturberCAP
  WorkUnit_Relax
///////////////////////////////////////// ///// WorkUnit Relax
  WorkUnit_RelaxAP
  WorkUnit_RelaxCAP
  WorkUnit_Sampler
protocols/mpi_refinement/WorkUnit_Sampler.hh:31
  WorkUnit_SamplerAP
  WorkUnit_SamplerCAP
  WorkUnit_bbGauss
///////////////////////////////////////// ///// WorkUnit bbGauss
  WorkUnit_bbGaussAP
  WorkUnit_bbGaussCAP
  __CPP_StructAvrgMover__
  __CPP_WorkUnit_CombinePose__
  __CPP_WorkUnit_FragInsert__
  __CPP_WorkUnit_KicCloser__
  __CPP_WorkUnit_LoopHash__
  __CPP_WorkUnit_MD__
  __CPP_WorkUnit_NormalMode__
  __CPP_WorkUnit_PartialAbinitio__
  __CPP_WorkUnit_RamaPerturber__
  __CPP_WorkUnit_Relax__
  __CPP_WorkUnit_Sampler__
  __CPP_WorkUnit_bbGauss__
Functions [hide private]
 
CA_Sscore(...)
CA_Sscore( (__CPP_SilentStruct__)ss1, (__CPP_SilentStruct__)ss2, (float)rmsd [, (float)dbase=1.0]) -> float : protocols/mpi_refinement/util.hh:156
 
Zscore_to_library(...)
Zscore_to_library( (float)score, (float)mean, (float)stdev [, (float)maxval=0.0 [, (float)minval=-3.0]]) -> float : protocols/mpi_refinement/util.hh:125
 
add_movemap_from_loopres(...)
add_movemap_from_loopres( (MoveMap)mm, (Pose)pose, (vector1_Size)loopres, (bool)nonideal) -> None : protocols/mpi_refinement/util.hh:97
 
add_poseinfo_to_ss(...)
add_poseinfo_to_ss( (SilentStruct)ss, (Pose)ref_pose, (str)suffix) -> None : protocols/mpi_refinement/util.hh:118
 
constrain_residue(...)
constrain_residue( (Pose)pose, (int)resno, (vector1_Size)exclres [, (str)cst_type='atompair' [, (float)stdev=0.5]]) -> None : protocols/mpi_refinement/util.hh:76
 
copy_pose_crd(...)
copy_pose_crd( (Pose)pose_frame, (Pose)pose_work, (vec1_vec1_Size)loopregions) -> None : protocols/mpi_refinement/util.hh:137
 
get_loop_info(...)
get_loop_info( (__CPP_SilentStruct__)ss, (int)res1, (int)res2, (bool)is_terminus) -> None : protocols/mpi_refinement/util.hh:68
 
get_loop_info_full(...)
get_loop_info_full( (__CPP_SilentStruct__)ss, (vector1_bool)is_terminus [, (str)mode='loop']) -> vector1_pair_Size_Size : protocols/mpi_refinement/util.hh:63
 
get_touched_res(...)
get_touched_res( (Pose)pose, (vector1_Size)loopres [, (float)dist_cut=6.0]) -> vector1_Size : protocols/mpi_refinement/util.hh:86
 
loopstring_to_loopregions(...)
loopstring_to_loopregions( (str)loopstr) -> vec1_vec1_Size : protocols/mpi_refinement/util.hh:132
 
loopstring_to_loopvector(...)
loopstring_to_loopvector( (str)loopstr [, (int)ext=0]) -> vector1_Size : protocols/mpi_refinement/util.hh:129
 
mean_and_stdev(...)
mean_and_stdev( (vector1_Real)values, (float)frac, (float)shave_cut, (float)mean, (float)stdev) -> None : protocols/mpi_refinement/util.hh:143
 
ramp_minpack_loop(...)
ramp_minpack_loop( (Pose)pose, (vector1_Size)loopres, (__CPP_ScoreFunction__)sfxn [, (bool)nonideal=True [, (bool)ramp=True [, (bool)efficient=False [, (bool)envmin=False]]]]) -> None : protocols/mpi_refinement/util.hh:108
 
ramp_minpack_pose(...)
ramp_minpack_pose( (Pose)pose, (__CPP_ScoreFunction__)sfxn [, (bool)nonideal=True [, (bool)ramp=True]]) -> None : protocols/mpi_refinement/util.hh:114
 
read_ss2(...)
read_ss2( (str)ssfile) -> object : protocols/mpi_refinement/util.hh:159
 
setup_packer(...)
setup_packer( (Pose)pose, (MoveMap)mm, (__CPP_ScoreFunction__)sfxn) -> PackRotamersMover : protocols/mpi_refinement/util.hh:91
Variables [hide private]
  __package__ = None
Function Details [hide private]

CA_Sscore(...)

 

CA_Sscore( (__CPP_SilentStruct__)ss1, (__CPP_SilentStruct__)ss2, (float)rmsd [, (float)dbase=1.0]) -> float :
    protocols/mpi_refinement/util.hh:156

    C++ signature :
        double CA_Sscore(boost::shared_ptr<core::io::silent::SilentStruct>,boost::shared_ptr<core::io::silent::SilentStruct>,double {lvalue} [,double=1.0])

CA_Sscore( (__CPP_SilentStruct__)ss1, (__CPP_SilentStruct__)ss2, (float)rmsd, (vector1_Size)loopres [, (float)dbase=1.0]) -> float :
    protocols/mpi_refinement/util.hh:150

    C++ signature :
        double CA_Sscore(boost::shared_ptr<core::io::silent::SilentStruct>,boost::shared_ptr<core::io::silent::SilentStruct>,double {lvalue},utility::vector1<unsigned long, std::allocator<unsigned long> > [,double=1.0])

Zscore_to_library(...)

 

Zscore_to_library( (float)score, (float)mean, (float)stdev [, (float)maxval=0.0 [, (float)minval=-3.0]]) -> float :
    protocols/mpi_refinement/util.hh:125

    C++ signature :
        double Zscore_to_library(double,double,double [,double=0.0 [,double=-3.0]])

add_movemap_from_loopres(...)

 

add_movemap_from_loopres( (MoveMap)mm, (Pose)pose, (vector1_Size)loopres, (bool)nonideal) -> None :
    protocols/mpi_refinement/util.hh:97

    C++ signature :
        void add_movemap_from_loopres(core::kinematics::MoveMap {lvalue},core::pose::Pose,utility::vector1<unsigned long, std::allocator<unsigned long> >,bool)

add_poseinfo_to_ss(...)

 

add_poseinfo_to_ss( (SilentStruct)ss, (Pose)ref_pose, (str)suffix) -> None :
    protocols/mpi_refinement/util.hh:118

    C++ signature :
        void add_poseinfo_to_ss(core::io::silent::SilentStruct {lvalue},core::pose::Pose,std::string)

constrain_residue(...)

 

constrain_residue( (Pose)pose, (int)resno, (vector1_Size)exclres [, (str)cst_type='atompair' [, (float)stdev=0.5]]) -> None :
    protocols/mpi_refinement/util.hh:76

    C++ signature :
        void constrain_residue(core::pose::Pose {lvalue},unsigned long,utility::vector1<unsigned long, std::allocator<unsigned long> > [,std::string='atompair' [,double=0.5]])

copy_pose_crd(...)

 

copy_pose_crd( (Pose)pose_frame, (Pose)pose_work, (vec1_vec1_Size)loopregions) -> None :
    protocols/mpi_refinement/util.hh:137

    C++ signature :
        void copy_pose_crd(core::pose::Pose,core::pose::Pose {lvalue},utility::vector1<utility::vector1<unsigned long, std::allocator<unsigned long> >, std::allocator<utility::vector1<unsigned long, std::allocator<unsigned long> > > >)

get_loop_info(...)

 

get_loop_info( (__CPP_SilentStruct__)ss, (int)res1, (int)res2, (bool)is_terminus) -> None :
    protocols/mpi_refinement/util.hh:68

    C++ signature :
        void get_loop_info(boost::shared_ptr<core::io::silent::SilentStruct>,unsigned long {lvalue},unsigned long {lvalue},bool {lvalue})

get_loop_info_full(...)

 

get_loop_info_full( (__CPP_SilentStruct__)ss, (vector1_bool)is_terminus [, (str)mode='loop']) -> vector1_pair_Size_Size :
    protocols/mpi_refinement/util.hh:63

    C++ signature :
        utility::vector1<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > get_loop_info_full(boost::shared_ptr<core::io::silent::SilentStruct>,utility::vector1<bool, std::allocator<bool> > {lvalue} [,std::string='loop'])

get_touched_res(...)

 

get_touched_res( (Pose)pose, (vector1_Size)loopres [, (float)dist_cut=6.0]) -> vector1_Size :
    protocols/mpi_refinement/util.hh:86

    C++ signature :
        utility::vector1<unsigned long, std::allocator<unsigned long> > get_touched_res(core::pose::Pose,utility::vector1<unsigned long, std::allocator<unsigned long> > [,double=6.0])

loopstring_to_loopregions(...)

 

loopstring_to_loopregions( (str)loopstr) -> vec1_vec1_Size :
    protocols/mpi_refinement/util.hh:132

    C++ signature :
        utility::vector1<utility::vector1<unsigned long, std::allocator<unsigned long> >, std::allocator<utility::vector1<unsigned long, std::allocator<unsigned long> > > > loopstring_to_loopregions(std::string)

loopstring_to_loopvector(...)

 

loopstring_to_loopvector( (str)loopstr [, (int)ext=0]) -> vector1_Size :
    protocols/mpi_refinement/util.hh:129

    C++ signature :
        utility::vector1<unsigned long, std::allocator<unsigned long> > loopstring_to_loopvector(std::string [,unsigned long=0])

mean_and_stdev(...)

 

mean_and_stdev( (vector1_Real)values, (float)frac, (float)shave_cut, (float)mean, (float)stdev) -> None :
    protocols/mpi_refinement/util.hh:143

    C++ signature :
        void mean_and_stdev(utility::vector1<double, std::allocator<double> >,double,double {lvalue},double {lvalue},double {lvalue})

ramp_minpack_loop(...)

 

ramp_minpack_loop( (Pose)pose, (vector1_Size)loopres, (__CPP_ScoreFunction__)sfxn [, (bool)nonideal=True [, (bool)ramp=True [, (bool)efficient=False [, (bool)envmin=False]]]]) -> None :
    protocols/mpi_refinement/util.hh:108

    C++ signature :
        void ramp_minpack_loop(core::pose::Pose {lvalue},utility::vector1<unsigned long, std::allocator<unsigned long> >,boost::shared_ptr<core::scoring::ScoreFunction const> [,bool=True [,bool=True [,bool=False [,bool=False]]]])

ramp_minpack_pose(...)

 

ramp_minpack_pose( (Pose)pose, (__CPP_ScoreFunction__)sfxn [, (bool)nonideal=True [, (bool)ramp=True]]) -> None :
    protocols/mpi_refinement/util.hh:114

    C++ signature :
        void ramp_minpack_pose(core::pose::Pose {lvalue},boost::shared_ptr<core::scoring::ScoreFunction const> [,bool=True [,bool=True]])

read_ss2(...)

 

read_ss2( (str)ssfile) -> object :
    protocols/mpi_refinement/util.hh:159

    C++ signature :
        std::map<unsigned long, utility::vector1<double, std::allocator<double> >, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, utility::vector1<double, std::allocator<double> > > > > read_ss2(std::string)

setup_packer(...)

 

setup_packer( (Pose)pose, (MoveMap)mm, (__CPP_ScoreFunction__)sfxn) -> PackRotamersMover :
    protocols/mpi_refinement/util.hh:91

    C++ signature :
        boost::shared_ptr<protocols::simple_moves::PackRotamersMover> setup_packer(core::pose::Pose,core::kinematics::MoveMap,boost::shared_ptr<core::scoring::ScoreFunction const>)