cluster_hotspot_docking.cc File Reference

#include <protocols/toolbox/KCluster.hh>
#include <devel/init.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <core/pose/Pose.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <core/import_pose/pose_stream/PoseInputStream.fwd.hh>
#include <core/import_pose/pose_stream/SilentFilePoseInputStream.hh>
#include <core/id/AtomID.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/SilentFileOptions.hh>
#include <core/io/silent/SilentStruct.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/conformation/Conformation.hh>
#include <protocols/docking/metrics.hh>
#include <utility/exit.hh>
#include <utility/vector1.hh>
#include <utility/tools/make_vector1.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <iostream>
#include <core/scoring/rms_util.hh>
#include <map>
#include <iomanip>

Functions
core::Real	aa2sim_sc (core::pose::Pose pose1, core::pose::Pose pose2)
core::Real	aa2sim_all (core::pose::Pose pose1, core::pose::Pose pose2)
core::Real	aa2sim_ca (core::pose::Pose pose1, core::pose::Pose pose2)
int	main (int argc, char *argv[])

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

Function Documentation

aa2sim_all()

core::Real aa2sim_all	(	core::pose::Pose	pose1,
		core::pose::Pose	pose2
	)

References test.T008_Serialization::pose1, test.T008_Serialization::pose2, loops_kic::rms, runtime_assert, and oop_conformations::scorefxn.

Referenced by main().

aa2sim_ca()

core::Real aa2sim_ca	(	core::pose::Pose	pose1,
		core::pose::Pose	pose2
	)

References test.T008_Serialization::pose1, test.T008_Serialization::pose2, loops_kic::rms, and oop_conformations::scorefxn.

Referenced by main().

aa2sim_sc()

core::Real aa2sim_sc	(	core::pose::Pose	pose1,
		core::pose::Pose	pose2
	)

References test.T008_Serialization::pose1, test.T008_Serialization::pose2, loops_kic::rms, runtime_assert, and oop_conformations::scorefxn.

Referenced by main().

main()

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

References aa2sim_all(), aa2sim_ca(), aa2sim_sc(), argv, basic::options::OptionKeys::cluster::energy_based_clustering::cluster_radius, test.T009_Exceptions::e, basic::options::OptionKeys::optE::fixed, kmeans_adaptive_kernel_density_bb_dependent_rotlib::fn, create_a3b_hbs::i, create_a3b_hbs::ii, basic::Tracer::Info, basic::init(), gaussian-sampling::input, create_a3b_hbs::j, basic::options::OptionKeys::cluster::max_total_cluster, basic::options::OptionKeys::frags::contacts::neighbors, NEW_OPT, basic::options::option, option, basic::options::OptionKeys::recces::out_prefix, beta_nonlocal::pose, create_a3b_hbs::prefix, create_a3b_hbs::score, sfd, test.T120_core::sfxn, in::file::silent(), challenge::ss, tag, tag_from_pose(), basic::options::OptionKeys::willmatch::taglist, extract_by_sidechain_sasa_score::tags, TR, and utility_exit_with_message.

Variable Documentation

TR

basic::Tracer TR("cluster_hotspot_docking") ( "cluster_hotspot_docking"  )

static

Referenced by main().