Package rosetta :: Package protocols :: Package dna :: Module _protocols_dna_
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Module _protocols_dna_

Classes [hide private]
  DNABase
protocols/dna/DNAParameters.hh:32
  DNABaseAP
  DNABaseCAP
  DNABasepair
protocols/dna/DNAParameters.hh:73
  DNABasepairAP
  DNABasepairCAP
  DNABasestep
protocols/dna/DNAParameters.hh:106
  DNABasestepAP
  DNABasestepCAP
  DNAParameters
protocols/dna/DNAParameters.hh:140
  DNAParametersAP
  DNAParametersCAP
  DesignProteinBackboneAroundDNA
protocols/dna/DesignProteinBackboneAroundDNA.hh:36
  DesignProteinBackboneAroundDNAAP
  DesignProteinBackboneAroundDNACAP
  DesignProteinBackboneAroundDNACreator
protocols/dna/DesignProteinBackboneAroundDNACreator.hh:22
  DesignProteinBackboneAroundDNACreatorAP
  DesignProteinBackboneAroundDNACreatorCAP
  DnaChains
protocols/dna/DnaChains.hh:58
  DnaChainsAP
  DnaChainsCAP
  DnaDesignDef
command-line dna_defs are of the format "C.501.ADE" they are parsed here into this little class for convenience
  DnaDesignDefAP
  DnaDesignDefCAP
  DnaInterfaceFinder
protocols/dna/DnaInterfaceFinder.hh:45
  DnaInterfaceFinderAP
  DnaInterfaceFinderCAP
  DnaInterfaceMinMover
protocols/dna/DnaInterfaceMinMover.hh:31
  DnaInterfaceMinMoverAP
  DnaInterfaceMinMoverCAP
  DnaInterfaceMinMoverCreator
protocols/dna/DnaInterfaceMinMoverCreator.hh:22
  DnaInterfaceMinMoverCreatorAP
  DnaInterfaceMinMoverCreatorCAP
  DnaInterfaceMultiStateDesign
wraps DNA-interface specific considerations around the general multistate design / genetic algorithm framework
  DnaInterfaceMultiStateDesignAP
  DnaInterfaceMultiStateDesignCAP
  DnaInterfaceMultiStateDesignCreator
protocols/dna/DnaInterfaceMultiStateDesignCreator.hh:22
  DnaInterfaceMultiStateDesignCreatorAP
  DnaInterfaceMultiStateDesignCreatorCAP
  DnaInterfacePacker
protocols/dna/DnaInterfacePacker.hh:57
  DnaInterfacePackerAP
  DnaInterfacePackerCAP
  DnaInterfacePackerCreator
protocols/dna/DnaInterfacePackerCreator.hh:22
  DnaInterfacePackerCreatorAP
  DnaInterfacePackerCreatorCAP
  DnaNeighbor
protocols/dna/DnaInterfaceFinder.hh:32
  DnaNeighborAP
  DnaNeighborCAP
  DnaPosition
protocols/dna/DnaChains.hh:33
  DnaPositionAP
  DnaPositionCAP
  PDBOutput
protocols/dna/PDBOutput.hh:37
  PDBOutputAP
  PDBOutputCAP
  PositionType
basic struct for remembering position/type information before/during/after design
  PositionTypeAP
  PositionTypeCAP
  ResTypeSequence_lt
protocols/dna/DnaInterfacePacker.hh:52
  ResTypeSequence_ltAP
  ResTypeSequence_ltCAP
  RestrictDesignToProteinDNAInterface
protocols/dna/RestrictDesignToProteinDNAInterface.hh:35
  RestrictDesignToProteinDNAInterfaceAP
  RestrictDesignToProteinDNAInterfaceCAP
  RestrictDesignToProteinDNAInterfaceCreator
protocols/dna/RestrictDesignToProteinDNAInterfaceCreator.hh:24
  RestrictDesignToProteinDNAInterfaceCreatorAP
  RestrictDesignToProteinDNAInterfaceCreatorCAP
  RotamerDNAHBondFilter
protocols/dna/RotamerDNAHBondFilter.hh:38
  RotamerDNAHBondFilterAP
  RotamerDNAHBondFilterCAP
  SeparateDnaFromNonDna
protocols/dna/SeparateDnaFromNonDna.hh:39
  SeparateDnaFromNonDnaAP
  SeparateDnaFromNonDnaCAP
  SeparateDnaFromNonDnaCreator
protocols/dna/SeparateDnaFromNonDnaCreator.hh:22
  SeparateDnaFromNonDnaCreatorAP
  SeparateDnaFromNonDnaCreatorCAP
  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
  WatsonCrickRotamerCouplings
protocols/dna/WatsonCrickRotamerCouplings.hh:28
  WatsonCrickRotamerCouplingsAP
  WatsonCrickRotamerCouplingsCAP
  WatsonCrickRotamerCouplingsCreator
protocols/dna/WatsonCrickRotamerCouplingsCreator.hh:24
  WatsonCrickRotamerCouplingsCreatorAP
  WatsonCrickRotamerCouplingsCreatorCAP
  __CPP_DesignProteinBackboneAroundDNACreator__
  __CPP_DesignProteinBackboneAroundDNA__
  __CPP_DnaInterfaceMinMoverCreator__
  __CPP_DnaInterfaceMinMover__
  __CPP_DnaInterfaceMultiStateDesignCreator__
  __CPP_DnaInterfaceMultiStateDesign__
  __CPP_DnaInterfacePackerCreator__
  __CPP_DnaInterfacePacker__
  __CPP_PDBOutput__
  __CPP_RestrictDesignToProteinDNAInterfaceCreator__
  __CPP_RestrictDesignToProteinDNAInterface__
  __CPP_RotamerDNAHBondFilter__
  __CPP_SeparateDnaFromNonDnaCreator__
  __CPP_SeparateDnaFromNonDna__
  __CPP_WatsonCrickRotamerCouplingsCreator__
  __CPP_WatsonCrickRotamerCouplings__
Functions [hide private]
 
add_constraints_from_file(...)
add_constraints_from_file( (Pose)pose) -> None : protocols/dna/util.hh:231
 
argrot_dna_dis2(...)
argrot_dna_dis2( (Pose)pose, (int)presid, (Residue)pres, (Residue)dres, (float)threshold [, (bool)base_only=False]) -> float : arginine rotamer sweep at a protein residue to see if it should be considered a (potentially) 'dna-contacting' residue ashworth
None :
checkpoint_cleanup()
protocols/dna/util.hh:202
 
close_to_dna(...)
close_to_dna( (Residue)pres, (Residue)dres, (float)cut2 [, (bool)base_only=False]) -> bool : checks c-beta (except glycine) to base atom-atom distances, not including ribose or phosphate backbone.
 
contact_distance2(...)
contact_distance2( (object)a_begin, (object)a_end, (object)b_begin, (object)b_end [, (float)threshold=0.0]) -> float : distance check for contact between two sets of atoms ashworth
 
design_residues_list(...)
design_residues_list( (object)design_residues, (Pose)pose, (PackerTask)ptask) -> None : protocols/dna/util.hh:141
 
dna_base_partner(...)
dna_base_partner( (AA)na) -> AA : protocols/dna/util.hh:109
 
dna_comp_name_str(...)
dna_comp_name_str( (str)dna) -> str : also consider using the dna_base_partner function below ashworth
 
dna_full_name3(...)
dna_full_name3( (str)name3) -> str : intended to convert any DNA "threeletter code" into the full three-letter code.
 
find_basepairs(...)
find_basepairs( (Pose)pose, (DnaChains)dna_chains [, (bool)include_unpaired=True]) -> None : DnaChains version, adapted from pbradley's code.
 
load_checkpoint(...)
load_checkpoint( (Pose)pose, (int)iter) -> None : protocols/dna/util.hh:201
 
load_dna_design_defs_from_file(...)
load_dna_design_defs_from_file( (object)defs, (str)filename, (str)pdb_prefix) -> None : protocols/dna/util.hh:220
 
load_dna_design_defs_from_options(...)
load_dna_design_defs_from_options( (object)defs, (str)pdb_prefix) -> None : protocols/dna/util.hh:226
 
load_dna_design_defs_from_strings(...)
load_dna_design_defs_from_strings( (object)defs, (vector1_string)str_defs) -> None : loads command-line dna design definitions (shorthand alternative to using resfile) option value is string vector i.e.
 
make_base_pair_aware_fold_tree(...)
make_base_pair_aware_fold_tree( (Pose)pose) -> FoldTree : protocols/dna/util.hh:236
 
make_sequence_combinations(...)
make_sequence_combinations( (object)seqset_iter, (vector1_Size)seq_indices, (PackerTask)ptask, (object)sequence, (object)sequences) -> None : protocols/dna/util.hh:150
 
make_single_mutants(...)
make_single_mutants( (object)sequence, (PackerTask)ptask, (object)sequences) -> None : make a list of all single mutants from a base sequence ashworth
 
make_subdirs(...)
make_subdirs( (str)) -> None : protocols/dna/PDBOutput.hh:98
 
not_already_connected(...)
not_already_connected( (Pose)pose, (int)num_jumps, (str)this_chain, (str)other_chain, (object)jump_pairs) -> bool : protocols/dna/util.hh:245
 
print_sequence_pdb_nums(...)
print_sequence_pdb_nums( (object), (Pose), (OStream)) -> None : protocols/dna/util.hh:167
 
print_sequences_pdb_nums(...)
print_sequences_pdb_nums( (object), (Pose), (OStream)) -> None : protocols/dna/util.hh:173
 
restrict_dna_rotamers(...)
restrict_dna_rotamers( (__CPP_RotamerSets__)rotsets, (object)seq, (vector0_T_int_std_allocator_T_int_T__T)rot_to_pack) -> None : for packing a single DNA sequence out of a multi-DNA-sequence RotamerSet ashworth
 
restrict_to_single_sequence(...)
restrict_to_single_sequence( (__CPP_RotamerSets__)rotamer_sets, (object)single_sequence, (vector0_T_int_std_allocator_T_int_T__T)rot_to_pack) -> None : for packing a single sequence out of a RotamerSets that (potentially) represents sequence variability ashworth
 
seq_pdb_str(...)
seq_pdb_str( (object), (Pose)) -> str : protocols/dna/util.hh:161
 
seq_to_str(...)
seq_to_str( (object)seq) -> str : protocols/dna/util.hh:154
 
set_base_segment_chainbreak_constraints(...)
set_base_segment_chainbreak_constraints( (Pose)pose, (int)this_base, (int)end_base) -> None : protocols/dna/util.hh:253
 
substitute_residue(...)
substitute_residue( (Pose)pose, (int)index, (ResidueType)new_type) -> None : protocols/dna/util.hh:198
 
write_checkpoint(...)
write_checkpoint( (Pose)pose, (int)iter) -> None : protocols/dna/util.hh:200
 
z_axis_dist(...)
z_axis_dist( (Residue)pres, (Residue)dres) -> float : A sanity check for the arginine rotamer screen.
Variables [hide private]
  __package__ = None
Function Details [hide private]

add_constraints_from_file(...)

 

add_constraints_from_file( (Pose)pose) -> None :
    protocols/dna/util.hh:231

    C++ signature :
        void add_constraints_from_file(core::pose::Pose {lvalue})

argrot_dna_dis2(...)

 

argrot_dna_dis2( (Pose)pose, (int)presid, (Residue)pres, (Residue)dres, (float)threshold [, (bool)base_only=False]) -> float :
    arginine rotamer sweep at a protein residue to see if it should be considered a (potentially) 'dna-contacting' residue
    ashworth
    

    C++ signature :
        double argrot_dna_dis2(core::pose::Pose,unsigned long,core::conformation::Residue,core::conformation::Residue,double [,bool=False])

checkpoint_cleanup()

 
    protocols/dna/util.hh:202

    C++ signature :
        void checkpoint_cleanup()

Returns: None :

close_to_dna(...)

 

close_to_dna( (Residue)pres, (Residue)dres, (float)cut2 [, (bool)base_only=False]) -> bool :
    checks c-beta (except glycine) to base atom-atom distances, not including ribose or phosphate backbone.
    ashworth
    

    C++ signature :
        bool close_to_dna(core::conformation::Residue,core::conformation::Residue,double [,bool=False])

contact_distance2(...)

 

contact_distance2( (object)a_begin, (object)a_end, (object)b_begin, (object)b_end [, (float)threshold=0.0]) -> float :
    distance check for contact between two sets of atoms
    ashworth
    

    C++ signature :
        double contact_distance2(__gnu_cxx::__normal_iterator<core::conformation::Atom const*, std::vector<core::conformation::Atom, std::allocator<core::conformation::Atom> > >,__gnu_cxx::__normal_iterator<core::conformation::Atom const*, std::vector<core::conformation::Atom, std::allocator<core::conformation::Atom> > >,__gnu_cxx::__normal_iterator<core::conformation::Atom const*, std::vector<core::conformation::Atom, std::allocator<core::conformation::Atom> > >,__gnu_cxx::__normal_iterator<core::conformation::Atom const*, std::vector<core::conformation::Atom, std::allocator<core::conformation::Atom> > > [,double=0.0])

design_residues_list(...)

 

design_residues_list( (object)design_residues, (Pose)pose, (PackerTask)ptask) -> None :
    protocols/dna/util.hh:141

    C++ signature :
        void design_residues_list(std::list<protocols::dna::PositionType, std::allocator<protocols::dna::PositionType> > {lvalue},core::pose::Pose,core::pack::task::PackerTask)

dna_base_partner(...)

 

dna_base_partner( (AA)na) -> AA :
    protocols/dna/util.hh:109

    C++ signature :
        core::chemical::AA dna_base_partner(core::chemical::AA)

dna_comp_name_str(...)

 

dna_comp_name_str( (str)dna) -> str :
    also consider using the dna_base_partner function below
    ashworth
    

    C++ signature :
        std::string dna_comp_name_str(std::string)

dna_full_name3(...)

 

dna_full_name3( (str)name3) -> str :
    intended to convert any DNA "threeletter code" into the full three-letter code. Note that this does not (necessarily) return the same thing as residue_type::name3 (which returns "  N" format as of Dec 2008)
    

    C++ signature :
        std::string dna_full_name3(std::string)

find_basepairs(...)

 

find_basepairs( (Pose)pose, (DnaChains)dna_chains [, (bool)include_unpaired=True]) -> None :
    DnaChains version, adapted from pbradley's code.  More paranoid geometry checks, in order to allow highly distorted basepairs without making mistakes
    ashworth
    

    C++ signature :
        void find_basepairs(core::pose::Pose,protocols::dna::DnaChains {lvalue} [,bool=True])

load_checkpoint(...)

 

load_checkpoint( (Pose)pose, (int)iter) -> None :
    protocols/dna/util.hh:201

    C++ signature :
        void load_checkpoint(core::pose::Pose {lvalue},unsigned long {lvalue})

load_dna_design_defs_from_file(...)

 

load_dna_design_defs_from_file( (object)defs, (str)filename, (str)pdb_prefix) -> None :
    protocols/dna/util.hh:220

    C++ signature :
        void load_dna_design_defs_from_file(utility::vector1<boost::shared_ptr<protocols::dna::DnaDesignDef>, std::allocator<boost::shared_ptr<protocols::dna::DnaDesignDef> > > {lvalue},std::string,std::string)

load_dna_design_defs_from_options(...)

 

load_dna_design_defs_from_options( (object)defs, (str)pdb_prefix) -> None :
    protocols/dna/util.hh:226

    C++ signature :
        void load_dna_design_defs_from_options(utility::vector1<boost::shared_ptr<protocols::dna::DnaDesignDef>, std::allocator<boost::shared_ptr<protocols::dna::DnaDesignDef> > > {lvalue},std::string)

load_dna_design_defs_from_strings(...)

 

load_dna_design_defs_from_strings( (object)defs, (vector1_string)str_defs) -> None :
    loads command-line dna design definitions (shorthand alternative to using resfile)
    option value is string vector
      i.e. -dna_defs C.-6 C.-5
      or   -dna_defs C.-6.GUA C.-5.CYT
    ashworth
    

    C++ signature :
        void load_dna_design_defs_from_strings(utility::vector1<boost::shared_ptr<protocols::dna::DnaDesignDef>, std::allocator<boost::shared_ptr<protocols::dna::DnaDesignDef> > > {lvalue},utility::vector1<std::string, std::allocator<std::string> >)

make_base_pair_aware_fold_tree(...)

 

make_base_pair_aware_fold_tree( (Pose)pose) -> FoldTree :
    protocols/dna/util.hh:236

    C++ signature :
        core::kinematics::FoldTree make_base_pair_aware_fold_tree(core::pose::Pose)

make_sequence_combinations(...)

 

make_sequence_combinations( (object)seqset_iter, (vector1_Size)seq_indices, (PackerTask)ptask, (object)sequence, (object)sequences) -> None :
    protocols/dna/util.hh:150

    C++ signature :
        void make_sequence_combinations(__gnu_cxx::__normal_iterator<unsigned long const*, std::vector<unsigned long, std::allocator<unsigned long> > >,utility::vector1<unsigned long, std::allocator<unsigned long> >,boost::shared_ptr<core::pack::task::PackerTask const>,std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > > {lvalue},utility::vector1<std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >, std::allocator<std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > > > > {lvalue})

make_single_mutants(...)

 

make_single_mutants( (object)sequence, (PackerTask)ptask, (object)sequences) -> None :
    make a list of all single mutants from a base sequence
    ashworth
    

    C++ signature :
        void make_single_mutants(std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >,boost::shared_ptr<core::pack::task::PackerTask const>,utility::vector1<std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >, std::allocator<std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > > > > {lvalue})

make_subdirs(...)

 

make_subdirs( (str)) -> None :
    protocols/dna/PDBOutput.hh:98

    C++ signature :
        void make_subdirs(std::string)

not_already_connected(...)

 

not_already_connected( (Pose)pose, (int)num_jumps, (str)this_chain, (str)other_chain, (object)jump_pairs) -> bool :
    protocols/dna/util.hh:245

    C++ signature :
        bool not_already_connected(core::pose::Pose,unsigned long,char,char,ObjexxFCL::FArray2D<int> {lvalue})

print_sequence_pdb_nums(...)

 

print_sequence_pdb_nums( (object), (Pose), (OStream)) -> None :
    protocols/dna/util.hh:167

    C++ signature :
        void print_sequence_pdb_nums(std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >,core::pose::Pose,std::ostream {lvalue})

print_sequences_pdb_nums(...)

 

print_sequences_pdb_nums( (object), (Pose), (OStream)) -> None :
    protocols/dna/util.hh:173

    C++ signature :
        void print_sequences_pdb_nums(utility::vector1<std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >, std::allocator<std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > > > >,core::pose::Pose,std::ostream {lvalue})

restrict_dna_rotamers(...)

 

restrict_dna_rotamers( (__CPP_RotamerSets__)rotsets, (object)seq, (vector0_T_int_std_allocator_T_int_T__T)rot_to_pack) -> None :
    for packing a single DNA sequence out of a multi-DNA-sequence RotamerSet
    ashworth
    

    C++ signature :
        void restrict_dna_rotamers(boost::shared_ptr<core::pack::rotamer_set::RotamerSets const>,std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >,utility::vector0<int, std::allocator<int> > {lvalue})

restrict_to_single_sequence(...)

 

restrict_to_single_sequence( (__CPP_RotamerSets__)rotamer_sets, (object)single_sequence, (vector0_T_int_std_allocator_T_int_T__T)rot_to_pack) -> None :
    for packing a single sequence out of a RotamerSets that (potentially) represents sequence variability
    ashworth
    

    C++ signature :
        void restrict_to_single_sequence(boost::shared_ptr<core::pack::rotamer_set::RotamerSets const>,utility::vector1<boost::shared_ptr<core::chemical::ResidueType const>, std::allocator<boost::shared_ptr<core::chemical::ResidueType const> > >,utility::vector0<int, std::allocator<int> > {lvalue})

seq_pdb_str(...)

 

seq_pdb_str( (object), (Pose)) -> str :
    protocols/dna/util.hh:161

    C++ signature :
        std::string seq_pdb_str(std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >,core::pose::Pose)

seq_to_str(...)

 

seq_to_str( (object)seq) -> str :
    protocols/dna/util.hh:154

    C++ signature :
        std::string seq_to_str(std::map<unsigned long, boost::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, boost::shared_ptr<core::chemical::ResidueType const> > > >)

set_base_segment_chainbreak_constraints(...)

 

set_base_segment_chainbreak_constraints( (Pose)pose, (int)this_base, (int)end_base) -> None :
    protocols/dna/util.hh:253

    C++ signature :
        void set_base_segment_chainbreak_constraints(core::pose::Pose {lvalue},unsigned long,unsigned long)

substitute_residue(...)

 

substitute_residue( (Pose)pose, (int)index, (ResidueType)new_type) -> None :
    protocols/dna/util.hh:198

    C++ signature :
        void substitute_residue(core::pose::Pose {lvalue},unsigned long,core::chemical::ResidueType)

write_checkpoint(...)

 

write_checkpoint( (Pose)pose, (int)iter) -> None :
    protocols/dna/util.hh:200

    C++ signature :
        void write_checkpoint(core::pose::Pose {lvalue},unsigned long)

z_axis_dist(...)

 

z_axis_dist( (Residue)pres, (Residue)dres) -> float :
    A sanity check for the arginine rotamer screen. Can prevent the design of positions that are best left alone because they are too far away along the helical axis ('laterally').
    ashworth
    

    C++ signature :
        double z_axis_dist(core::conformation::Residue,core::conformation::Residue)