cterdesign.cc File Reference

backrub Monte Carlo/small phi/psi move/design protocol More...

#include <protocols/branch_angle/BranchAngleOptimizer.hh>
#include <protocols/jobdist/Jobs.hh>
#include <protocols/jobdist/standard_mains.hh>
#include <protocols/simple_moves/BackboneMover.hh>
#include <protocols/backrub/BackrubMover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/simple_moves/sidechain_moves/SidechainMover.hh>
#include <protocols/viewer/viewers.hh>
#include <core/chemical/ResidueType.hh>
#include <core/kinematics/MoveMap.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <numeric/random/random.hh>
#include <platform/types.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/backrub.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <core/kinematics/Jump.hh>
#include <protocols/moves/MoverStatistics.hh>
#include <utility/io/mpistream.hh>
#include <fstream>

Functions
void *	my_main (void *)
int	main (int argc, char *argv[])
core::scoring::TwoBodyEMapVector	interface_energymap (core::pose::Pose const &pose, std::set< core::Size > const &res_set1, std::set< core::Size > const &res_set2)
core::scoring::TwoBodyEMapVector	interface_energymap (core::pose::Pose const &pose, std::set< char > const &chain_set1, std::set< char > const &chain_set2)

Variables
static basic::Tracer	TR ("apps.backrub")

Detailed Description

backrub Monte Carlo/small phi/psi move/design protocol

Author

Colin A. Smith (colin.nosp@m..smi.nosp@m.th@uc.nosp@m.sf.e.nosp@m.du)

Function Documentation

interface_energymap() [1/2]

core::scoring::TwoBodyEMapVector interface_energymap	(	core::pose::Pose const &	pose,
		std::set< char > const &	chain_set1,
		std::set< char > const &	chain_set2
	)

References predPRE::chain, create_a3b_hbs::i, interface_energymap(), create_a3b_hbs::nres, and beta_nonlocal::pose.

interface_energymap() [2/2]

core::scoring::TwoBodyEMapVector interface_energymap	(	core::pose::Pose const &	pose,
		std::set< core::Size > const &	res_set1,
		std::set< core::Size > const &	res_set2
	)

References beta_nonlocal::pose.

Referenced by interface_energymap(), and my_main().

main()

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

References argv, in::path::database(), test.T009_Exceptions::e, in::ignore_unrecognized_res(), basic::init(), in::file::l(), backrub::max_atoms(), backrub::mc_kt(), backrub::min_atoms(), backrub::mm_bend_weight(), my_main(), NEW_OPT, out::nstruct(), backrub::ntrials(), OPT, backrub::pivot_atoms(), backrub::pivot_residues(), packing::resfile(), in::file::s(), backrub::sc_prob(), backrub::sc_prob_uniform(), backrub::sm_prob(), and viewer_main().

my_main()

void* my_main

(

void *

)

References job_manager::app, basic::options::OptionKeys::in::file::centroid_input, basic::Tracer::flush(), create_a3b_hbs::i, interface_energymap(), basic::options::OptionKeys::backrub::max_atoms, mc, basic::options::OptionKeys::backrub::mc_kt, basic::options::OptionKeys::backrub::min_atoms, basic::options::OptionKeys::backrub::mm_bend_weight, basic::options::OptionKeys::MonteCarlo::MonteCarlo, basic::options::OptionKeys::in::file::movemap, basic::options::OptionKeys::backrub::ntrials, basic::options::option, erraser_single_res_analysis::out, drrafter_rna::output_tag, basic::options::OptionKeys::backrub::pivot_atoms, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::packing::resfile, numeric::random::rg(), basic::options::OptionKeys::backrub::sc_prob, basic::options::OptionKeys::backrub::sc_prob_uniform, beta_nonlocal::score_fxn, basic::options::OptionKeys::backrub::sm_prob, test.T400_Refinement::smallmover, vancomycin::task, basic::options::TR, numeric::random::RandomGenerator::uniform(), basic::options::OptionKeys::inout::dbms::user, and basic::Tracer::Warning.

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("apps.backrub") ( "apps.backrub"  )

static