GenericSimulatedAnnealer.hh File Reference

perform a given mover and sample structures by MonteCarlo with simulated annealing of acceptance temperatures More...

#include <protocols/monte_carlo/GenericSimulatedAnnealer.fwd.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <protocols/monte_carlo/GenericMonteCarloMover.hh>
#include <core/pose/Pose.fwd.hh>

Classes
class	protocols::monte_carlo::AcceptedScores
	Represents a set of filter scores that have been accepted. More...
class	protocols::monte_carlo::GenericSimulatedAnnealer
	GenericSimulatedAnnealer mover for performing simulated annealing trajectories. More...

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

Enumerations
enum	protocols::monte_carlo::TrialResult { protocols::monte_carlo::REJECTED , protocols::monte_carlo::ACCEPTED , protocols::monte_carlo::FAILED , protocols::monte_carlo::FINISHED }
	Describes result of a trial. More...

Functions
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 simulated annealing of acceptance temperatures

The "score" evaluation of pose during MC after applying mover is done by ither FilterOP that can do report_sm() or ScoreFunctionOP you gave. 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)