minimize_cavities.cc File Reference

#include <core/types.hh>
#include <devel/init.hh>
#include <core/chemical/AA.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueTypeSelector.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/chemical/residue_io.hh>
#include <core/chemical/VariantType.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/constraints/Constraint.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/constraints/Constraints.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/scoring/constraints/ConstraintIO.hh>
#include <core/scoring/func/Func.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pose/Pose.hh>
#include <basic/options/option.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/minimization_packing/RotamerTrialsMover.hh>
#include <protocols/simple_moves/ScoreMover.hh>
#include <core/scoring/packstat/types.hh>
#include <core/scoring/packstat/compute_sasa.hh>
#include <core/scoring/packstat/packing_score_params.hh>
#include <core/scoring/packstat/AtomRadiusMap.hh>
#include <core/scoring/packstat/SimplePDB.hh>
#include <protocols/simple_moves/AddCavitiesMover.hh>
#include <utility/pointer/owning_ptr.hh>
#include <utility/vector1.hh>
#include <utility/string_util.hh>
#include <utility/io/izstream.hh>
#include <numeric/xyzVector.hh>
#include <numeric/io.hh>
#include <ObjexxFCL/format.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <vector>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>

Functions
void	test_suck_res (std::string fname)
int	main (int argc, char *argv[])

Function Documentation

main()

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

References argv, test.T009_Exceptions::e, PREcst::fname, create_a3b_hbs::i, basic::init(), in::file::l(), basic::options::OptionKeys::in::file::list, option, basic::options::OptionKeys::packstat::packstat, in::file::s(), test_suck_res(), and basic::options::OptionKeys::inout::dbms::user.

test_suck_res()

void test_suck_res

(

std::string

fname

)

References utility::io::oc::cerr, basic::options::OptionKeys::constraints::constraints, basic::options::OptionKeys::matdes::dock::dump_pdb, ObjexxFCL::format::F(), PREcst::fname, create_a3b_hbs::i, test.T110_numeric::I, min(), beta_nonlocal::mm, vancomycin::pack, basic::options::OptionKeys::packstat::packstat, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::frags::scoring::scoring, basic::options::OptionKeys::out::sf, and vancomycin::task.

Referenced by main().