pocket_relax.cc File Reference

#include <iostream>
#include <string>
#include <basic/options/option.hh>
#include <basic/options/keys/relax.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/edensity.OptionKeys.gen.hh>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
#include <basic/options/keys/symmetry.OptionKeys.gen.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/keys/pocket_grid.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/Jump.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/import_pose/import_pose.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/constraints/util.hh>
#include <core/types.hh>
#include <devel/init.hh>
#include <numeric/random/random.hh>
#include <ObjexxFCL/string.functions.hh>
#include <protocols/electron_density/SetupForDensityScoringMover.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/util.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <protocols/relax/ClassicRelax.hh>
#include <protocols/relax/RelaxProtocolBase.hh>
#include <protocols/relax/util.hh>
#include <protocols/simple_moves/symmetry/SetupForSymmetryMover.hh>
#include <protocols/simple_moves/SuperimposeMover.hh>
#include <protocols/simple_moves/ConstraintSetMover.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <utility/excn/Exceptions.hh>

Classes
class	NCMinimize

Functions
static THREAD_LOCAL basic::Tracer	TR ("pocket_relax")
int	main (int argc, char *argv[])

Function Documentation

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

References basic::options::OptionKeys::run::chain, utility::io::oc::cout, basic::options::OptionKeys::constraints::cst_fa_file, basic::options::OptionKeys::constraints::cst_file, basic::options::OptionKeys::dna::specificity::fast, basic::options::OptionKeys::in::file::fullatom, devel::init(), basic::options::OptionKeys::edensity::mapfile, basic::options::OptionKeys::in::file::movemap, utility::excn::EXCN_Base::msg(), basic::options::OptionKeys::in::file::native, NCMinimize::NCMinimize(), NEW_OPT, option, options, make_symmdef_file_denovo::pos, basic::options::OptionKeys::docking::ligand::protocol, register_options(), basic::options::OptionKeys::abinitio::relax, basic::options::OptionKeys::frags::scoring::scoring, basic::options::OptionKeys::relax::superimpose_to_file, score_app::superimpose_to_native, basic::options::OptionKeys::symmetry::symmetry_definition, and basic::options::OptionKeys::inout::dbms::user.

static THREAD_LOCAL basic::Tracer TR ( "pocket_relax"  )

static

Referenced by NCMinimize::apply().