mpi_msd.cc File Reference

#include <protocols/pack_daemon/EntityCorrespondence.hh>
#include <protocols/pack_daemon/DynamicAggregateFunction.hh>
#include <protocols/pack_daemon/MultistateAggregateFunction.hh>
#include <protocols/pack_daemon/MultistateFitnessFunction.hh>
#include <protocols/pack_daemon/PackDaemon.hh>
#include <protocols/pack_daemon/util.hh>
#include <devel/init.hh>
#include <core/io/pdb/pose_io.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/MetricValue.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/interaction_graph/SurfacePotential.hh>
#include <core/import_pose/import_pose.hh>
#include <basic/Tracer.hh>
#include <protocols/genetic_algorithm/Entity.hh>
#include <protocols/genetic_algorithm/EntityRandomizer.hh>
#include <protocols/genetic_algorithm/Mutate1Randomizer.hh>
#include <protocols/genetic_algorithm/GeneticAlgorithm.hh>
#include <protocols/multistate_design/util.hh>
#include <protocols/toolbox/pose_metric_calculators/NumberHBondsCalculator.hh>
#include <protocols/toolbox/pose_metric_calculators/BuriedUnsatisfiedPolarsCalculator.hh>
#include <utility/mpi_util.hh>
#include <utility/string_util.hh>
#include <utility/excn/Exceptions.hh>
#include <numeric/numeric.functions.hh>
#include <numeric/random/random.hh>
#include <basic/options/keys/ms.OptionKeys.gen.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>

Go to the source code of this file.

Classes
class	HPatchNPDCalculator
class	HPatchNPDCalculatorCreator
class	HPatchByChainNPDCalculator
class	HPatchByChainNPDCalculatorCreator
class	NBuriedUnsatsCalcultor
class	NBuriedUnsatsCalcultorCreator

Functions
static THREAD_LOCAL basic::Tracer	TR ("apps.public.design.mpi_msd", t_info)
std::string	read_native_sequence_for_entity_elements (core::Size n_designed_positions)
int	main (int argc, char **argv)

Function Documentation

int main	(	int	argc,
		char **	argv
	)

Definition at line 373 of file mpi_msd.cc.

References utility::io::oc::cerr, demo.D060_Folding::counter, utility::io::oc::cout, end, utility::options::OptionKeys::options::exit, test.T200_Scoring::ii, devel::init(), utility::mpi_rank(), utility::excn::EXCN_Msg_Exception::msg(), utility::excn::EXCN_Base::msg(), NEW_OPT, basic::options::option, options, clean_pdb_keep_ligand::outfile, read_native_sequence_for_entity_elements(), PyMOL_demo::seq, test.T220_AtomAtomPairEnergies::sfxn, amino_acids::size, basic::t_debug, basic::t_info, utility::to_string(), basic::options::TR(), utility::options::OptionKeys::options::user, utility_exit_with_message, and basic::Tracer::visible().

std::string read_native_sequence_for_entity_elements

(

core::Size

n_designed_positions

)

Definition at line 155 of file mpi_msd.cc.

References test.T200_Scoring::ii, basic::options::option, options, app.surface_docking.surface_docking::pose, utility::to_string(), utility::options::OptionKeys::options::user, and utility_exit_with_message.

Referenced by main().

static THREAD_LOCAL basic::Tracer TR ( "apps.public.design.mpi_msd"  , t_info    )

static