calc_ssm_energies.cc File Reference

#include <core/conformation/Residue.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/types.hh>
#include <devel/init.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/toolbox/pose_manipulation/pose_manipulation.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.fwd.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyz.functions.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <core/pack/task/ResidueLevelTask.hh>

Classes
class	SSM_energies

Functions
void	get_interface_residues (core::pose::Pose &pose, utility::vector1< bool > &interface, core::Real K, bool proteindna=false)
void	get_neighbor_residues (core::pose::Pose &pose, core::Size res_i, utility::vector1< bool > &neighbor, core::Real K)
int	main (int argc, char *argv[])

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

Function Documentation

get_interface_residues()

void get_interface_residues	(	core::pose::Pose &	pose,
		utility::vector1< bool > &	interface,
		core::Real	K,
		bool	proteindna = false
	)

References erraser_analysis::angle1, erraser_analysis::angle2, numeric::angle_degrees(), compute_difference::b, dist(), utility::graph::Node::edge_list_end(), utility::graph::Edge::get_node(), create_a3b_hbs::i, interface, create_a3b_hbs::j, PREcst::K, oop_conformations::length, create_a3b_hbs::nres, beta_nonlocal::pose, mutant_modeler::protein_residues, test.T200_Scoring::rsd1, test.T200_Scoring::rsd2, basic::options::OptionKeys::frags::scoring::scoring, test.T120_core::sfxn, and utility_exit_with_message.

Referenced by SSM_energies::apply().

get_neighbor_residues()

void get_neighbor_residues	(	core::pose::Pose &	pose,
		core::Size	res_i,
		utility::vector1< bool > &	neighbor,
		core::Real	K
	)

References erraser_analysis::angle1, erraser_analysis::angle2, numeric::angle_degrees(), compute_difference::b, dist(), create_a3b_hbs::i, PREcst::K, oop_conformations::length, create_a3b_hbs::nres, beta_nonlocal::pose, mutant_modeler::protein_residues, test.T200_Scoring::rsd1, test.T200_Scoring::rsd2, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by SSM_energies::apply().

main()

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

References argv, basic::options::OptionKeys::msd::debug, basic::options::OptionKeys::dna::dna, test.T009_Exceptions::e, basic::init(), interface, NEW_OPT, beta_sc_scan::seq, and basic::options::OptionKeys::sc::verbose.

Variable Documentation

TR

basic::Tracer TR("calc_ssm_energies") ( "calc_ssm_energies"  )

static

Referenced by SSM_energies::apply().