PeptideDeriver.cc File Reference

#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AA.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSelector.hh>
#include <core/chemical/util.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <basic/Tracer.hh>
#include <core/pose/Pose.hh>
#include <core/options/util.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <numeric/xyzVector.hh>
#include <numeric/random/random.hh>
#include <core/options/keys/in.OptionKeys.gen.hh>
#include <core/options/keys/out.OptionKeys.gen.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/sequence/Sequence.hh>
#include <core/sequence/util.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/VariantType.hh>
#include <core/chemical/disulfide_util.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/func/HarmonicFunc.hh>

Functions
core::pose::PoseOP	get_subPose (core::pose::PoseCOP, core::pose::PoseCOP, core::Size, core::Size, char)
Real	calculateInterfaceScore (core::pose::Pose &, core::scoring::ScoreFunctionCOP)
int	main (int argc, char *argv[])

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

Function Documentation

calculateInterfaceScore()

Real calculateInterfaceScore	(	core::pose::Pose &	pose,
		core::scoring::ScoreFunctionCOP	scorefxn
	)

References beta_nonlocal::pose, TR, and basic::options::OptionKeys::enzdes::trans_magnitude.

Referenced by derive(), and main().

get_subPose()

core::pose::PoseOP get_subPose	(	core::pose::PoseCOP	chainA,
		core::pose::PoseCOP	chainB,
		core::Size	pep_start,
		core::Size	pep_end,
		char	pep_chain
	)

References basic::options::OptionKeys::chemical::chemical, create_a3b_hbs::i, basic::options::OptionKeys::pepspec::pep_chain, pep_end(), and beta_nonlocal::pose.

Referenced by derive(), and main().

main()

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

References a, argv, compute_difference::b, create_a3b_hbs::best_pose, calculateInterfaceScore(), chains, basic::options::OptionKeys::chemical::chemical, basic::options::OptionKeys::constraints::constraints, test.T009_Exceptions::e, get_subPose(), create_a3b_hbs::i, basic::init(), basic::options::OptionKeys::in::file::movemap, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, oop_conformations::scorefxn, basic::options::OptionKeys::frags::scoring::scoring, basic::options::start_file(), and TR.

Variable Documentation

TR

basic::Tracer TR("PeptideDeriver") ( "PeptideDeriver"  )

static

Referenced by calculateInterfaceScore(), and main().