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rotamer_building_functions.hh File Reference
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/task/RotamerSampleOptions.hh>
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/graph/Graph.fwd.hh>
#include <core/scoring/ScoreFunction.hh>
#include <utility/io/izstream.fwd.hh>
#include <utility/vector1.hh>
#include <core/pack/rotamer_set/WaterAnchorInfo.hh>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::pack
 
 core::pack::rotamer_set
 

Typedefs

typedef utility::vector1< Real > core::pack::rotamer_set::DihedralSet
 

Functions

void core::pack::rotamer_set::read_DNA_rotlib (utility::io::izstream &lib_stream, utility::vector1< DihedralSet * > &library)
 
void core::pack::rotamer_set::build_lib_dna_rotamers (utility::vector1< DihedralSet * > const &library, Size const resid, pose::Pose const &pose, chemical::ResidueTypeCOP concrete_residue, utility::vector1< conformation::ResidueOP > &rotamers)
 
void core::pack::rotamer_set::build_random_dna_rotamers (Size const resid, pose::Pose const &pose, chemical::ResidueTypeCOP concrete_residue, pack::task::ExtraRotSample const &level, utility::vector1< conformation::ResidueOP > &rotamers)
 
void core::pack::rotamer_set::build_dna_rotamers (Size const resid, pose::Pose const &pose, chemical::ResidueTypeCOP concrete_residue, pack::task::PackerTask const &task, utility::vector1< conformation::ResidueOP > &rotamers)
 
void core::pack::rotamer_set::build_rotamers_from_rotamer_bins (conformation::Residue const &residue, utility::vector1< conformation::ResidueOP > &rotamers)
 Make a rotamer (Residue) for every combination of torsion angle in the rotamer bins listed in the params file for the given Residue. More...
 
conformation::ResidueOP core::pack::rotamer_set::create_oriented_water_rotamer (chemical::ResidueType const &h2o_type, Vector const &xyz_atom1, Vector const &xyz_O, Vector const &xyz_atom2, std::string const &name1, std::string const &name2, conformation::Residue const &tp5)
 
void core::pack::rotamer_set::build_anchorless_water_rotamers (Size const seqpos, chemical::ResidueType const &h2o_type, pose::Pose const &pose, utility::vector1< conformation::ResidueOP > &new_rotamers, pack::task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph, scoring::ScoreFunction const &score_fxn)
 builds water molecule rotamers on top of cubic lattice in hydrate/SPaDES protocol More...
 
void core::pack::rotamer_set::build_independent_water_rotamers (Size const seqpos_water, chemical::ResidueType const &h2o_type, pack::task::PackerTask const &task, pose::Pose const &pose, utility::graph::GraphCOP packer_neighbor_graph, utility::vector1< conformation::ResidueOP > &new_rotamers, scoring::ScoreFunction const &scorefxn)
 
void core::pack::rotamer_set::debug_dump_rotamers (utility::vector1< conformation::ResidueOP > &rotamers)
 
void core::pack::rotamer_set::build_dependent_water_rotamers (RotamerSets const &rotsets, Size const seqpos_water, chemical::ResidueType const &h2o_type, pack::task::PackerTask const &task, pose::Pose const &pose, utility::graph::GraphCOP packer_neighbor_graph, utility::vector1< conformation::ResidueOP > &new_rotamers, scoring::ScoreFunction const &scorefxn)