GenericSimulatedAnnealer.cc File Reference

perform a given mover and sample structures by MonteCarlo with gradual simulated annealing More...

#include <protocols/monte_carlo/GenericSimulatedAnnealer.hh>
#include <protocols/monte_carlo/GenericSimulatedAnnealerCreator.hh>
#include <basic/Tracer.hh>
#include <numeric/random/random.hh>
#include <utility/tag/Tag.hh>
#include <core/pose/Pose.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/io/silent/SilentStruct.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/SilentFileOptions.hh>
#include <protocols/rosetta_scripts/util.hh>
#include <protocols/filters/Filter.hh>
#include <fstream>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <basic/datacache/DataMapObj.hh>

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

Functions
static basic::Tracer	TR ("protocols.simple_moves.GenericSimulatedAnnealer")
core::Real	protocols::monte_carlo::calc_sum (utility::vector1< core::Real > const &vec)
core::Real	protocols::monte_carlo::calc_mean (utility::vector1< core::Real > const &vec)
core::Real	protocols::monte_carlo::calc_sum_squares (utility::vector1< core::Real > const &vec)
core::Real	protocols::monte_carlo::calc_sum_xy (utility::vector1< core::Real > const &x, utility::vector1< core::Real > const &y)
utility::vector1< core::Real >	protocols::monte_carlo::linear_regression (utility::vector1< core::Real > const &x, utility::vector1< core::Real > const &y)
	Given a set of x and y points, returns the linear regression. More...
std::ostream &	protocols::monte_carlo::operator<< (std::ostream &os, AcceptedScores const &scores)
void	protocols::monte_carlo::replace_file (std::string const &origfile, std::string const &newfile)
	safely replaces a file with another More...

Detailed Description

perform a given mover and sample structures by MonteCarlo with gradual simulated annealing

The score evaluation of pose during MC after applying mover is done by either FilterOP that can do report_sm() or ScoreFunctionOP. By setting sample_type_ to high, you can also sample the pose that have higher score.

Author

Tom Linsky (tlins.nosp@m.ky@u.nosp@m.w.edu)

Function Documentation

TR()

static basic::Tracer TR ( "protocols.simple_moves.GenericSimulatedAnnealer"  )

static