Rosetta  2021.16
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Namespaces | Functions
util.hh File Reference

util functions for RECCES and thermal_sampler More...

#include <core/types.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/id/TorsionID.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/ScoreType.hh>
#include <utility/io/ozstream.hh>
#include <string>
#include <map>
#include <utility/vector1.hh>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::recces
 

Functions

utility::vector1
< core::scoring::ScoreType >
const & 
protocols::recces::get_scoretypes ()
 
core::Size protocols::recces::data_dim (utility::vector1< core::scoring::ScoreType > const &score_types)
 
core::Size protocols::recces::data_dim ()
 
void protocols::recces::update_scores (utility::vector1< float > &scores, core::pose::Pose &pose, core::scoring::ScoreFunctionCOP scorefxn)
 
void protocols::recces::update_scores (utility::vector1< float > &scores, core::pose::Pose &pose, core::scoring::ScoreFunctionCOP scorefxn, utility::vector1< core::scoring::ScoreType > const &score_types)
 
void protocols::recces::fill_data (utility::vector1< float > &data, core::Size const count, utility::vector1< float > const &scores)
 
template<typename T >
void protocols::recces::vector2disk_in1d (std::string const &out_filename, utility::vector1< T > const &out_vector)
 
template<typename T >
void protocols::recces::vector2disk_in2d (std::string const &out_filename, core::Size const dim1, core::Size const dim2, utility::vector1< T > const &out_vector)
 
void protocols::recces::print_base_centroid_atoms_for_rb_entropy (core::conformation::Residue const &rsd, std::string filename_xyz)
 
utility::vector1< core::Realprotocols::recces::get_torsions (utility::vector1< core::id::TorsionID > const &torsion_ids, core::pose::Pose const &pose)
 used to output torsions from pose – useful for clustering states, etc. More...
 

Detailed Description

util functions for RECCES and thermal_sampler

Author
Andy Watkins
Fang-Chieh Chou
Rhiju Das