Rosetta  2020.37
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Types | Public Member Functions | Private Attributes | List of all members
protocols::splice::SampleRotamersFromPDB_RotamerSetOperation Class Reference

#include <SampleRotamersFromPDB.hh>

Inheritance diagram for protocols::splice::SampleRotamersFromPDB_RotamerSetOperation:
Inheritance graph
[legend]

Public Types

typedef core::Real Real
 
typedef core::pose::Pose Pose
 
typedef
core::pack::task::PackerTask 
PackerTask
 
typedef
core::pack::task::PackerTaskCOP 
PackerTaskCOP
 
typedef
core::pack::rotamer_set::RotamerSet 
RotamerSet
 
typedef
core::pack::rotamer_set::Rotamers 
Rotamers
 
typedef
core::scoring::ScoreFunction 
ScoreFunction
 
typedef utility::graph::GraphCOP GraphCOP
 
typedef
core::pack::rotamer_set::RotamerSetOperationOP 
RotamerSetOperationOP
 

Public Member Functions

 SampleRotamersFromPDB_RotamerSetOperation ()
 
 SampleRotamersFromPDB_RotamerSetOperation (bool add_rot, utility::vector1< core::Size > SampleAtAlignedpositions, bool d, bool ccd, std::string file_name)
 
 ~SampleRotamersFromPDB_RotamerSetOperation () override
 
RotamerSetOperationOP clone () const override
 
void alter_rotamer_set (core::pose::Pose const &pose, core::scoring::ScoreFunction const &, core::pack::task::PackerTask const &, utility::graph::GraphCOP, core::pack::rotamer_set::RotamerSet &rotamer_set) override
 
void alter_rotamer_set_from_pdb (core::pose::Pose const &pose, core::pack::task::PackerTask const &ptask, core::pack::rotamer_set::RotamerSet &rotamer_set)
 
void alter_rotamer_set_from_db (core::pose::Pose const &pose, core::pack::task::PackerTask const &ptask, core::pack::rotamer_set::RotamerSet &rotamer_set)
 
void add_rotamer_to_rotamer_set (core::pose::Pose const &pose, core::pack::rotamer_set::RotamerSet &rotamer_set, core::conformation::ResidueOP cur_rot)
 
void add_rotamer_constraints (core::pose::Pose &pose, core::Size seqnum, core::conformation::ResidueOP cur_rot)
 
bool is_residue_allowed (core::chemical::ResidueType const &restype, core::pack::task::ResidueLevelTask const &rtask)
 
core::conformation::ResidueOP ROT2res (ROT rot, core::pose::Pose const &pose)
 
void add_pose (core::pose::PoseCOP pose)
 
void initialize_from_command_line ()
 
void fill_rotamer_matrix_from_db_file ()
 
void copy_rotamer_matrix (rot_matrix const &rm)
 
- Public Member Functions inherited from core::pack::rotamer_set::RotamerSetOperation
 RotamerSetOperation ()
 
 ~RotamerSetOperation () override
 
virtual Real increase_packer_residue_radius (pose::Pose const &pose, task::PackerTaskCOP the_task, core::Size residue_in) const
 

Private Attributes

utility::vector1
< core::pose::PoseCOP
poses_
 
bool add_rotamer_
 
utility::vector1< core::SizeSampleAtAlignedpositions_
 
bool debug_
 
bool ccd_
 
std::string db_file_
 
rot_matrix resi_vec_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::SampleRotamersFromPDB_RotamerSetOperation ( )
protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::SampleRotamersFromPDB_RotamerSetOperation ( bool  add_rot,
utility::vector1< core::Size SampleAtAlignedpositions,
bool  d,
bool  ccd,
std::string  file_name 
)
protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::~SampleRotamersFromPDB_RotamerSetOperation ( )
override

Member Function Documentation

void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::add_pose ( core::pose::PoseCOP  pose)

References poses_.

Referenced by initialize_from_command_line().

void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::add_rotamer_constraints ( core::pose::Pose pose,
core::Size  seqnum,
core::conformation::ResidueOP  cur_rot 
)
void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::add_rotamer_to_rotamer_set ( core::pose::Pose const &  pose,
core::pack::rotamer_set::RotamerSet rotamer_set,
core::conformation::ResidueOP  cur_rot 
)
void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::alter_rotamer_set ( core::pose::Pose const &  pose,
core::scoring::ScoreFunction const &  ,
core::pack::task::PackerTask const &  ptask,
utility::graph::GraphCOP  ,
core::pack::rotamer_set::RotamerSet rotamer_set 
)
overridevirtual
void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::alter_rotamer_set_from_db ( core::pose::Pose const &  pose,
core::pack::task::PackerTask const &  ptask,
core::pack::rotamer_set::RotamerSet rotamer_set 
)
void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::alter_rotamer_set_from_pdb ( core::pose::Pose const &  pose,
core::pack::task::PackerTask const &  ptask,
core::pack::rotamer_set::RotamerSet rotamer_set 
)
core::pack::rotamer_set::RotamerSetOperationOP protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::clone ( ) const
overridevirtual
void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::copy_rotamer_matrix ( rot_matrix const &  rm)

References resi_vec_.

void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::fill_rotamer_matrix_from_db_file ( )
void protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::initialize_from_command_line ( )
bool protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::is_residue_allowed ( core::chemical::ResidueType const &  restype,
core::pack::task::ResidueLevelTask const &  rtask 
)
core::conformation::ResidueOP protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::ROT2res ( ROT  rot,
core::pose::Pose const &  pose 
)

Member Data Documentation

bool protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::add_rotamer_
private
bool protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::ccd_
private
std::string protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::db_file_
private
bool protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::debug_
private
utility::vector1< core::pose::PoseCOP > protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::poses_
private
rot_matrix protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::resi_vec_
private
utility::vector1< core::Size > protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::SampleAtAlignedpositions_
private

The documentation for this class was generated from the following files: