atom_design.cc File Reference

#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/symmetry/util.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/kinematics/MoveMap.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <core/pack/optimizeH.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/scoring/constraints/AmbiguousConstraint.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/Tracer.hh>
#include <numeric/random/random.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyz.io.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/string.functions.hh>
#include <protocols/moves/Mover.hh>
#include <sstream>
#include <utility/io/ozstream.hh>
#include <utility/string_util.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/util.hh>
#include <protocols/moves/MoverStatistics.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <core/pose/init_id_map.hh>
#include <apps/pilot/will/will_util.ihh>

Typedefs
typedef numeric::xyzVector< Real >	Vec
typedef utility::vector1< Vec >	Vecs
typedef numeric::xyzMatrix< Real >	Mat

Functions
void	adesign (core::pose::Pose &pose, ScoreFunctionOP sf, core::chemical::ResidueTypeSet const &rs)
void	mydumppdb (core::pose::Pose &pose, std::string fname)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("atom_design")

Typedef Documentation

Mat

typedef numeric::xyzMatrix<Real> Mat

Vec

typedef numeric::xyzVector<Real> Vec

Vecs

typedef utility::vector1<Vec> Vecs

Function Documentation

adesign()

void adesign	(	core::pose::Pose &	pose,
		ScoreFunctionOP	sf,
		core::chemical::ResidueTypeSet const &	rs
	)

References create_a3b_hbs::i, create_a3b_hbs::j, beta_nonlocal::pose, basic::options::OptionKeys::casp::repack, basic::options::OptionKeys::out::sf, vancomycin::task, and TR.

Referenced by main().

main()

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

References adesign(), argv, utility::io::oc::cout, test.T009_Exceptions::e, create_a3b_hbs::i, basic::init(), create_a3b_hbs::j, mydumppdb(), basic::options::option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::in::file::s, and basic::options::OptionKeys::out::sf.

mydumppdb()

void mydumppdb	(	core::pose::Pose &	pose,
		std::string	fname
	)

References PREcst::fname, erraser_single_res_analysis::out, and beta_nonlocal::pose.

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("atom_design") ( "atom_design"  )

static

Referenced by adesign().