lsmgridprobe.cc File Reference

#include <string>
#include <fstream>
#include <vector>
#include <devel/init.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/import_pose/import_pose.hh>
#include <core/kinematics/Jump.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/util.hh>
#include <core/id/AtomID.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/rms_util.hh>
#include <core/types.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/Energies.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/simple_filters/EnergyPerResidueFilter.hh>
#include <protocols/cluster/APCluster.hh>
#include <basic/options/option.hh>
#include <basic/options/util.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/sphericalVector.hh>
#include <numeric/xyz.functions.hh>
#include <boost/algorithm/string.hpp>
#include <boost/lexical_cast.hpp>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/hotspot.OptionKeys.gen.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <protocols/hotspot_hashing/SearchPattern.hh>
#include <protocols/hotspot_hashing/MinimizingPatternSearch.hh>
#include <utility/excn/Exceptions.hh>

Namespaces
	protocols
	demo program for implementing loop relax + FA relax
	protocols::hotspot_hashing
	basic
	Tags used to tag messeges sent by MPI functions used to decide whether a slave is requesting a new job id or flagging as job as being a bad input.
	basic::options
	basic::options::OptionKeys

Functions
bool	protocols::hotspot_hashing::tryParseLSMSpec (std::string lsmstring, core::Size &id, VectorPair &lsmspec)
int	main (int argc, char *argv[])

Variables
basic::options::StringOptionKey const	basic::options::OptionKeys::lsmdef ("lsmdef")
basic::options::RealOptionKey const	basic::options::OptionKeys::angle_sampling ("angle_sampling")
basic::options::RealOptionKey const	basic::options::OptionKeys::translocation_sampling ("translocation_sampling")
basic::options::RealOptionKey const	basic::options::OptionKeys::max_radius ("max_radius")
basic::options::RealOptionKey const	basic::options::OptionKeys::distance_sampling ("distance_sampling")
basic::options::RealOptionKey const	basic::options::OptionKeys::max_distance ("max_distance")
basic::options::BooleanOptionKey const	basic::options::OptionKeys::constrain_grid ("constrain_grid")

Function Documentation

main()

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

References out::path::all(), basic::options::OptionKeys::angle_sampling, argv, basic::options::OptionKeys::constrain_grid, basic::options::OptionKeys::distance_sampling, test.T009_Exceptions::e, hotspot::envhb(), packing::ex1::ex1(), packing::ex2::ex2(), packing::extrachi_cutoff(), in::file::fail_on_bad_hbond(), basic::init(), basic::options::OptionKeys::lsmdef, basic::options::OptionKeys::max_distance, basic::options::OptionKeys::max_radius, utility::file::FileName::name(), basic::options::option, option, options, basic::options::OptionKeys::motifs::output_file, legacy_score_vs_rmsd::pattern, pyrosetta.distributed.io::pose_from_file, hotspot::residue(), residue, build_restypes::restype, oop_conformations::scorefxn, hotspot::target(), basic::options::OptionKeys::translocation_sampling, protocols::hotspot_hashing::tryParseLSMSpec(), basic::options::OptionKeys::inout::dbms::user, utility_exit_with_message, and score::weights().