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Classes | Typedefs | Functions
protocols::motifs Namespace Reference

Classes

class  BuildPosition
 
class  IRCollection
 
class  LigandMotifSearch
 
class  Motif
 
class  MotifDnaPacker
 
class  MotifDnaPackerCreator
 
class  MotifHit
 
class  MotifLibrary
 
class  MotifSearch
 
class  SingleMotif
 

Typedefs

typedef
utility::pointer::owning_ptr
< BuildPosition
BuildPositionOP
 
typedef
utility::pointer::owning_ptr
< BuildPosition const > 
BuildPositionCOP
 
typedef utility::vector1
< BuildPositionOP
BuildPositionOPs
 
typedef utility::vector1
< BuildPositionCOP
BuildPositionCOPs
 
typedef
utility::pointer::owning_ptr
< IRCollection
IRCollectionOP
 
typedef
utility::pointer::owning_ptr
< IRCollection const > 
IRCollectionCOP
 
typedef utility::vector1
< IRCollectionOP
IRCollectionOPs
 
typedef
utility::pointer::owning_ptr
< LigandMotifSearch
LigandMotifSearchOP
 
typedef
utility::pointer::owning_ptr
< LigandMotifSearch const > 
LigandMotifSearchCOP
 
typedef
utility::pointer::owning_ptr
< Motif
MotifOP
 
typedef
utility::pointer::owning_ptr
< Motif const > 
MotifCOP
 
typedef utility::vector1< MotifOPMotifOPs
 
typedef utility::vector1
< MotifCOP
MotifCOPs
 
typedef
utility::pointer::owning_ptr
< MotifDnaPacker
MotifDnaPackerOP
 
typedef
utility::pointer::owning_ptr
< MotifDnaPacker const > 
MotifDnaPackerCOP
 
typedef
utility::pointer::owning_ptr
< MotifHit
MotifHitOP
 
typedef
utility::pointer::owning_ptr
< MotifHit const > 
MotifHitCOP
 
typedef utility::vector1
< MotifHitOP
MotifHitOPs
 
typedef utility::vector1
< MotifHitCOP
MotifHitCOPs
 
typedef
utility::pointer::owning_ptr
< MotifLibrary
MotifLibraryOP
 
typedef
utility::pointer::owning_ptr
< MotifLibrary const > 
MotifLibraryCOP
 
typedef
utility::pointer::owning_ptr
< MotifSearch
MotifSearchOP
 
typedef
utility::pointer::owning_ptr
< MotifSearch const > 
MotifSearchCOP
 
typedef
utility::pointer::owning_ptr
< SingleMotif
SingleMotifOP
 
typedef
utility::pointer::owning_ptr
< SingleMotif const > 
SingleMotifCOP
 
typedef utility::vector1
< SingleMotifOP
SingleMotifOPs
 
typedef utility::vector1
< SingleMotifCOP
SingleMotifCOPs
 

Functions

static basic::Tracer irt ("protocols.motifs.IRCollection", basic::t_info)
 
static basic::Tracer ms_tr ("protocols.motifs.LigandMotifSearch", basic::t_info)
 
static basic::Tracer mt ("protocols.motifs.Motif", basic::t_info)
 
std::ostream & operator<< (std::ostream &os, Motif const &motif)
 
static basic::Tracer mu_tr ("protocols.motifs.motif_utils", basic::t_info)
 
SingleMotifOP single_motif_from_filename (utility::file::FileName const &motif_filename)
 
SingleMotifOP single_motif_from_stream (utility::io::izstream &motif_info)
 
SingleMotifOP single_motif_from_stream (std::istream &motif_info)
 
SingleMotifOP single_ligand_motif_from_stream (std::istream &motif_info)
 
core::Real parallel_base_test (core::conformation::Residue const &pose_dna, core::conformation::Residue const &motif_dna)
 
core::Real backbone_stub_match (core::conformation::Residue const &r1, core::conformation::Residue const &r2)
 
void add_motif_bb_constraints (core::scoring::constraints::ConstraintSetOP cst_set, core::pose::Pose &pose, core::Size this_pos, core::conformation::Residue const &inv_rotamer)
 
void add_motif_sc_constraints (core::scoring::constraints::ConstraintSetOP cst_set, core::pose::Pose &pose, core::Size this_pos, core::conformation::Residue const &inv_rotamer, MotifCOP this_motif, bool const is_it_forward)
 
void mutate_loops_for_search (core::pose::Pose &pose, protocols::loops::Loops &flex_regions)
 
MotifLibrary const get_MotifLibrary_user ()
 
MotifLibrary const get_LigandMotifLibrary_user ()
 
utility::vector1
< core::conformation::ResidueOP >
const 
get_targetconformers_user ()
 
std::map< std::string,
utility::vector1
< core::conformation::ResidueOP >
> const 
setup_conformer_map (utility::vector1< core::conformation::ResidueOP > const &conformerOPs)
 
utility::vector1< core::Sizeget_target_positions_make_dna_mutations (core::pose::Pose &pose)
 
std::map< core::Size, std::set
< std::string > > 
get_target_position_map_make_dna_mutations (core::pose::Pose &pose)
 
void make_dna_mutations (core::pose::Pose &pose)
 
void make_dna_mutations (core::pose::Pose &pose, protocols::dna::DnaDesignDefOPs const &target)
 
utility::vector1< core::Sizedefs2vector (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets)
 
utility::vector1< std::pair
< core::Size, utility::vector1
< std::string > > > 
defs2allowedtypes (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets)
 
std::map< core::Size, std::set
< std::string > > 
defs2map (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets)
 
std::map< core::Size, std::set
< std::string > > 
bpdefs2map (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets)
 
std::string name3_from_oneletter (std::string const &oneletter)
 
utility::vector1< core::Sizeget_motif_build_positions_user (core::pose::Pose const &pose)
 
utility::vector1
< protocols::dna::DnaDesignDefOP
get_motif_build_position_defs_user ()
 
void load_build_position_data (BuildPosition &bp, std::string const &filename, core::pose::Pose &pose, core::Size const )
 
void load_build_position_data (BuildPosition &bp, std::string const &filename, core::pose::Pose &pose)
 
utility::vector1
< utility::file::FileName > 
get_filenames (utility::vector1< utility::file::FileName > const &listnames)
 
core::conformation::ResidueOP single_residue_from_stream (utility::io::izstream &residue_info)
 
utility::vector1< boolbools_from_sizes (core::Size const nres, utility::vector1< core::Size > const &v)
 
void make_base_pair_mutation (core::pose::Pose &pose, core::Size const seqpos, core::chemical::AA const &na)
 
core::Real atom_specific_rms (core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2, utility::vector1< core::Size > const &atoms)
 
core::Real atom_specific_rms (core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2, utility::vector1< std::string > const &atoms)
 
core::pack::rotamer_set::RotamerSetOP build_rotamers_lite (core::pose::Pose &pose, core::Size const rotamer_build_position, utility::vector1< bool > aa_info, core::Size const ex_, bool bump_check)
 
int const PRECISION (3)
 
static basic::Tracer TR ("devel.motifs.MotifDnaPacker")
 
std::ostream & operator<< (std::ostream &os, MotifLibrary const &mlib)
 
static basic::Tracer ms_tr ("protocols.motifs.MotifSearch", basic::t_info)
 
static basic::Tracer mt ("protocols.motifs.Motif", basic::t_info)
 
std::ostream & operator<< (std::ostream &os, const SingleMotif &motif)
 

Typedef Documentation

Definition at line 26 of file BuildPosition.fwd.hh.

Definition at line 28 of file BuildPosition.fwd.hh.

Definition at line 24 of file BuildPosition.fwd.hh.

Definition at line 27 of file BuildPosition.fwd.hh.

Definition at line 28 of file IRCollection.fwd.hh.

Definition at line 26 of file IRCollection.fwd.hh.

Definition at line 29 of file IRCollection.fwd.hh.

Definition at line 25 of file LigandMotifSearch.fwd.hh.

Definition at line 23 of file LigandMotifSearch.fwd.hh.

Definition at line 26 of file Motif.fwd.hh.

Definition at line 28 of file Motif.fwd.hh.

Definition at line 22 of file MotifDnaPacker.fwd.hh.

Definition at line 20 of file MotifDnaPacker.fwd.hh.

Definition at line 26 of file MotifHit.fwd.hh.

Definition at line 28 of file MotifHit.fwd.hh.

Definition at line 24 of file MotifHit.fwd.hh.

Definition at line 27 of file MotifHit.fwd.hh.

Definition at line 25 of file MotifLibrary.fwd.hh.

Definition at line 23 of file MotifLibrary.fwd.hh.

Definition at line 24 of file Motif.fwd.hh.

Definition at line 27 of file Motif.fwd.hh.

Definition at line 25 of file MotifSearch.fwd.hh.

Definition at line 23 of file MotifSearch.fwd.hh.

Definition at line 26 of file SingleMotif.fwd.hh.

Definition at line 28 of file SingleMotif.fwd.hh.

Definition at line 24 of file SingleMotif.fwd.hh.

Definition at line 27 of file SingleMotif.fwd.hh.

Function Documentation

void protocols::motifs::add_motif_bb_constraints ( core::scoring::constraints::ConstraintSetOP  cst_set,
core::pose::Pose pose,
core::Size  this_pos,
core::conformation::Residue const &  inv_rotamer 
)
void protocols::motifs::add_motif_sc_constraints ( core::scoring::constraints::ConstraintSetOP  cst_set,
core::pose::Pose pose,
core::Size  this_pos,
core::conformation::Residue const &  inv_rotamer,
MotifCOP  this_motif,
bool const  is_it_forward 
)
core::Real protocols::motifs::atom_specific_rms ( core::conformation::Residue const &  rsd1,
core::conformation::Residue const &  rsd2,
utility::vector1< core::Size > const &  atoms 
)
core::Real protocols::motifs::atom_specific_rms ( core::conformation::Residue const &  rsd1,
core::conformation::Residue const &  rsd2,
utility::vector1< std::string > const &  atoms 
)

Definition at line 1150 of file motif_utils.cc.

References core::conformation::Residue::xyz().

core::Real protocols::motifs::backbone_stub_match ( core::conformation::Residue const &  r1,
core::conformation::Residue const &  r2 
)
utility::vector1< bool > protocols::motifs::bools_from_sizes ( core::Size const  nres,
utility::vector1< core::Size > const &  v 
)

Definition at line 1072 of file motif_utils.cc.

References protocols::match::upstream::b.

std::map< core::Size, std::set< std::string > > protocols::motifs::bpdefs2map ( core::pose::Pose const &  pose,
protocols::dna::DnaDesignDefOPs const &  targets 
)
core::pack::rotamer_set::RotamerSetOP protocols::motifs::build_rotamers_lite ( core::pose::Pose pose,
core::Size const  rotamer_build_position,
utility::vector1< bool aa_info,
core::Size const  ex_,
bool  bump_check 
)
utility::vector1< std::pair< core::Size, utility::vector1< std::string > > > protocols::motifs::defs2allowedtypes ( core::pose::Pose const &  pose,
protocols::dna::DnaDesignDefOPs const &  targets 
)

Definition at line 713 of file motif_utils.cc.

References mu_tr(), and core::pose::Pose::pdb_info().

std::map< core::Size, std::set< std::string > > protocols::motifs::defs2map ( core::pose::Pose const &  pose,
protocols::dna::DnaDesignDefOPs const &  targets 
)
utility::vector1< core::Size > protocols::motifs::defs2vector ( core::pose::Pose const &  pose,
protocols::dna::DnaDesignDefOPs const &  targets 
)
utility::vector1< utility::file::FileName > protocols::motifs::get_filenames ( utility::vector1< utility::file::FileName > const &  listnames)
MotifLibrary const protocols::motifs::get_LigandMotifLibrary_user ( )
protocols::dna::DnaDesignDefOPs protocols::motifs::get_motif_build_position_defs_user ( )
utility::vector1< core::Size > protocols::motifs::get_motif_build_positions_user ( core::pose::Pose const &  pose)
MotifLibrary const protocols::motifs::get_MotifLibrary_user ( )
std::map< core::Size, std::set< std::string > > protocols::motifs::get_target_position_map_make_dna_mutations ( core::pose::Pose pose)
utility::vector1< core::Size > protocols::motifs::get_target_positions_make_dna_mutations ( core::pose::Pose pose)
utility::vector1< core::conformation::ResidueOP > const protocols::motifs::get_targetconformers_user ( )
static basic::Tracer protocols::motifs::irt ( "protocols.motifs.IRCollection"  ,
basic::t_info   
)
static
void protocols::motifs::load_build_position_data ( BuildPosition &  bp,
std::string const &  filename,
core::pose::Pose pose,
core::Size  const 
)
void protocols::motifs::load_build_position_data ( BuildPosition &  bp,
std::string const &  filename,
core::pose::Pose pose 
)
void protocols::motifs::make_base_pair_mutation ( core::pose::Pose pose,
core::Size const  seqpos,
core::chemical::AA const &  na 
)
void protocols::motifs::make_dna_mutations ( core::pose::Pose pose)
void protocols::motifs::make_dna_mutations ( core::pose::Pose pose,
protocols::dna::DnaDesignDefOPs const &  target 
)
static basic::Tracer protocols::motifs::ms_tr ( "protocols.motifs.MotifSearch"  ,
basic::t_info   
)
static
static basic::Tracer protocols::motifs::ms_tr ( "protocols.motifs.LigandMotifSearch"  ,
basic::t_info   
)
static
static basic::Tracer protocols::motifs::mt ( "protocols.motifs.Motif"  ,
basic::t_info   
)
static
static basic::Tracer protocols::motifs::mt ( "protocols.motifs.Motif"  ,
basic::t_info   
)
static
static basic::Tracer protocols::motifs::mu_tr ( "protocols.motifs.motif_utils"  ,
basic::t_info   
)
static
void protocols::motifs::mutate_loops_for_search ( core::pose::Pose pose,
protocols::loops::Loops flex_regions 
)
std::string protocols::motifs::name3_from_oneletter ( std::string const &  oneletter)

Definition at line 817 of file motif_utils.cc.

Referenced by bpdefs2map().

std::ostream& protocols::motifs::operator<< ( std::ostream &  os,
MotifLibrary const &  mlib 
)
std::ostream& protocols::motifs::operator<< ( std::ostream &  os,
const SingleMotif &  motif 
)

Definition at line 161 of file SingleMotif.cc.

References protocols::motifs::Motif::print().

std::ostream& protocols::motifs::operator<< ( std::ostream &  os,
Motif const &  motif 
)

Definition at line 1249 of file Motif.cc.

References protocols::motifs::Motif::print().

core::Real protocols::motifs::parallel_base_test ( core::conformation::Residue const &  pose_dna,
core::conformation::Residue const &  motif_dna 
)
int const protocols::motifs::PRECISION ( )
std::map< std::string, utility::vector1< core::conformation::ResidueOP > > const protocols::motifs::setup_conformer_map ( utility::vector1< core::conformation::ResidueOP > const &  conformerOPs)
SingleMotifOP protocols::motifs::single_ligand_motif_from_stream ( std::istream &  motif_info)
SingleMotifOP protocols::motifs::single_motif_from_filename ( utility::file::FileName const &  motif_filename)
SingleMotifOP protocols::motifs::single_motif_from_stream ( utility::io::izstream &  motif_info)
SingleMotifOP protocols::motifs::single_motif_from_stream ( std::istream &  motif_info)

Definition at line 169 of file motif_utils.cc.

core::conformation::ResidueOP protocols::motifs::single_residue_from_stream ( utility::io::izstream &  residue_info)
static basic::Tracer protocols::motifs::TR ( "devel.motifs.MotifDnaPacker"  )
static