cenrot_bbsc_demo.cc File Reference

#include <core/chemical/AA.hh>
#include <core/chemical/Atom.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/util.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <core/types.hh>
#include <core/id/AtomID.hh>
#include <core/id/DOF_ID.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/pack/dunbrack/RotamerLibrary.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pack/dunbrack/cenrot/SingleResidueCenrotLibrary.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <numeric/random/random.hh>
#include <numeric/constants.hh>
#include <utility/vector1.hh>
#include <utility/fixedsizearray1.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/CartesianMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/optimization/Minimizer.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <protocols/simple_moves/SwitchResidueTypeSetMover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/minimization_packing/RotamerTrialsMover.hh>
#include <protocols/viewer/viewers.hh>
#include <protocols/moves/PyMOLMover.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/moves/CyclicMover.hh>
#include <protocols/moves/TrialMover.hh>
#include <protocols/moves/RepeatMover.hh>
#include <protocols/simple_moves/BBGaussianMover.hh>
#include <sstream>
#include <iostream>
#include <string>
#include <fstream>
#include <map>

Functions
void	relax_cenrot_pose (core::pose::PoseOP &native_pose, core::pose::Pose &p, std::string const &tag)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("pilot.wendao.cenrot")

Function Documentation

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, basic::init(), in::file::native(), docking::native_pose, NEW_OPT, option, kmeans_adaptive_kernel_density_bb_dependent_rotlib::p, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, relax_cenrot_pose(), in::file::s(), subloop_histogram::size, and basic::options::OptionKeys::inout::dbms::user.

relax_cenrot_pose()

void relax_cenrot_pose	(	core::pose::PoseOP &	native_pose,
		core::pose::Pose &	p,
		std::string const &	tag
	)

References pyrosetta::create_score_function, basic::Tracer::flush(), create_a3b_hbs::i, create_a3b_hbs::ii, basic::options::OptionKeys::MonteCarlo::MonteCarlo, option, kmeans_adaptive_kernel_density_bb_dependent_rotlib::p, basic::options::OptionKeys::run::run, vancomycin::task, TR, and gaussian-sampling::trial.

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("pilot.wendao.cenrot") ( "pilot.wendao.cenrot"  )

static

Referenced by relax_cenrot_pose().