homodimer_design.cc File Reference

Symmetric homodimer design. More...

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/conformation/Conformation.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/rms_util.tmpl.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/scoring/constraints/Constraint.hh>
#include <core/scoring/constraints/ResidueTypeConstraint.hh>
#include <core/scoring/ScoreType.hh>
#include <basic/MetricValue.hh>
#include <basic/datacache/CacheableData.hh>
#include <basic/Tracer.hh>
#include <protocols/moves/Mover.hh>
#include <core/pose/metrics/simple_calculators/InterfaceNeighborDefinitionCalculator.hh>
#include <protocols/toolbox/task_operations/RestrictToInterfaceOperation.hh>
#include <protocols/protein_interface_design/movers/BuildAlaPose.hh>
#include <protocols/protein_interface_design/movers/SaveAndRetrieveSidechains.hh>
#include <protocols/simple_moves/ddG.hh>
#include <protocols/symmetric_docking/SymDockProtocol.hh>
#include <protocols/simple_moves/symmetry/SetupForSymmetryMover.hh>
#include <protocols/simple_moves/symmetry/SymMinMover.hh>
#include <protocols/simple_moves/symmetry/SymPackRotamersMover.hh>
#include <core/scoring/symmetry/SymmetricScoreFunction.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/symmetry.OptionKeys.gen.hh>
#include <basic/options/keys/enzdes.OptionKeys.gen.hh>
#include <utility/vector1.hh>
#include <sstream>
#include <iostream>
#include <string>
#include <utility/vector0.hh>
#include <utility/excn/Exceptions.hh>

Classes
class	HDdesignMover

Enumerations
enum	Index {   chain_index = 1, start_index = 2, end_index = 3, max_neighbors = 16,   trans = 1, rot = 2 }

Functions
static THREAD_LOCAL basic::Tracer	TR ("apps.public.beta_strand_homodimer_design.homodimer_design")
int	main (int argc, char *argv[])

Variables
basic::options::BooleanOptionKey const	make_ala_interface ("make_ala_interface")
basic::options::IntegerOptionKey const	pack_min_runs ("pack_min_runs")
basic::options::BooleanOptionKey const	find_bb_hbond_E ("find_bb_hbond_E")
basic::options::BooleanOptionKey const	skip_hd_docking ("skip_hd_docking")
basic::options::StringOptionKey const	disallow_res ("disallow_res")

Detailed Description

Symmetric homodimer design.

Enumeration Type Documentation

enum Index

Enumerator
chain_index
start_index
end_index
max_neighbors
trans
rot

Function Documentation

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

References utility::io::oc::cout, disallow_res, find_bb_hbond_E, devel::init(), make_ala_interface, utility::excn::EXCN_Base::msg(), option, pack_min_runs, and skip_hd_docking.

static THREAD_LOCAL basic::Tracer TR ( "apps.public.beta_strand_homodimer_design.homodimer_design"  )

static

Referenced by HDdesignMover::apply(), HDdesignMover::calc_bb_E(), HDdesignMover::cloak_and_setup(), HDdesignMover::register_calculators(), HDdesignMover::sym_repack_minimize(), and HDdesignMover::task_constraint_setup().

Variable Documentation

basic::options::StringOptionKey const disallow_res("disallow_res")

Referenced by HDdesignMover::HDdesignMover(), main(), and HDdesignMover::task_constraint_setup().

basic::options::BooleanOptionKey const find_bb_hbond_E("find_bb_hbond_E")

Referenced by HDdesignMover::HDdesignMover(), and main().

basic::options::BooleanOptionKey const make_ala_interface("make_ala_interface")

Referenced by HDdesignMover::HDdesignMover(), and main().

basic::options::IntegerOptionKey const pack_min_runs("pack_min_runs")

Referenced by HDdesignMover::HDdesignMover(), and main().

basic::options::BooleanOptionKey const skip_hd_docking("skip_hd_docking")

Referenced by HDdesignMover::HDdesignMover(), and main().