rotamerize.cc File Reference

#include <core/import_pose/import_pose.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/conformation/Atom.hh>
#include <core/conformation/Residue.hh>
#include <core/types.hh>
#include <core/scoring/dna/setup.hh>
#include <core/scoring/dna/base_geometry.hh>
#include <utility/string_util.hh>
#include <utility/vector1.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <basic/options/util.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/rms_util.tmpl.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/util.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperation.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <protocols/minimization_packing/RotamerizeMover.hh>
#include <devel/init.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <algorithm>
#include <set>
#include <vector>
#include <list>
#include <iterator>

Functions
void	rotamerize (std::string filename, pose::Pose &pose)
int	main (int argc, char *argv[])

Function Documentation

main()

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

References argv, utility::io::oc::cout, basic::init(), basic::options::OptionKeys::in::file::list, name, option, basic::options::OptionKeys::in::path::pdb, test.G203_Module_SQLPDB::pdb_path, pyrosetta.distributed.io::pose_from_file, and rotamerize().

rotamerize()

void rotamerize	(	std::string	filename,
		pose::Pose &	pose
	)

References utility::io::oc::cout, pyrosetta::create_score_function, lactamize::filename, beta_nonlocal::pose, beta_nonlocal::score_fxn, and weights().

Referenced by main().