heme_replace.cc File Reference

#include <protocols/moves/Mover.hh>
#include <devel/init.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/util.hh>
#include <protocols/simple_moves/PackRotamersMover.hh>
#include <protocols/relax/FastRelax.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/types.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/vector1.functions.hh>

Classes
class	HemeReplace
	Replaces original porphyrin ligand with heme and rescores the pose. Prints energy difference between two ligands. More...

Namespaces
	local

Typedefs
typedef utility::pointer::shared_ptr< HemeReplace >	HemeReplaceOP

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

Variables
static basic::Tracer	TR ("apps.pilot.guffysl.heme_replace")
basic::options::FileOptionKey const	local::heme_conformation ("heme_conformation")
basic::options::BooleanOptionKey const	local::no_relax ("no_relax")
basic::options::IntegerOptionKey const	local::num_trials ("num_trials")
basic::options::RealOptionKey const	local::repacking_distance ("repacking_distance")

Typedef Documentation

HemeReplaceOP

typedef utility::pointer::shared_ptr< HemeReplace > HemeReplaceOP

Function Documentation

main()

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

References utility::options::OptionCollection::add(), argv, utility::options::ScalarOption_T_< K, T >::def(), test.T009_Exceptions::e, local::heme_conformation, basic::init(), local::no_relax, local::num_trials, basic::options::option, local::repacking_distance, and TR.

Variable Documentation

TR

basic::Tracer TR("apps.pilot.guffysl.heme_replace") ( "apps.pilot.guffysl.heme_replace"  )

static

Referenced by HemeReplace::apply(), and main().