minimize.cc File Reference

Calls the minimizer to energy-relax a pose. More...

#include <protocols/jd2/JobDistributor.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/constraints/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/keys/relax.OptionKeys.gen.hh>
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <devel/init.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/kinematics/MoveMap.hh>
#include <numeric/random/random.hh>
#include <string>
#include <ObjexxFCL/string.functions.hh>
#include <core/kinematics/Jump.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <utility/excn/Exceptions.hh>

Classes
class	Minimize

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

Detailed Description

Calls the minimizer to energy-relax a pose.

Author

No idea who wrote this originally. Modified by Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu) on 20 June 2016 as part of the 2016 Documentation XRW.

Function Documentation

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

References utility::io::oc::cout, devel::init(), Minimize::Minimize(), utility::excn::EXCN_Base::msg(), basic::options::OptionKeys::docking::ligand::protocol, and basic::options::OptionKeys::frags::scoring::scoring.

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

static

Referenced by Minimize::apply().