pocket_suggest_target_residues_by_ddg.cc File Reference

#include <iostream>
#include <sstream>
#include <cmath>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <devel/init.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <utility/vector1.hh>
#include <utility/string_util.hh>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <utility/excn/Exceptions.hh>
#include <fstream>

Functions
core::Real	interface_residue_ddg (core::pose::Pose const &pose, core::Size resno)
bool	is_interface_residue (const char chain, const int resno)
int	main (int argc, char *argv[])
	General testing code. More...

Variables
static basic::Tracer	TR ("apps.pilot.david_choose_target_residues.main")
std::set< std::string >	interface
std::set< std::string >	interface_resi
std::set< char >	chains

Function Documentation

interface_residue_ddg()

core::Real interface_residue_ddg	(	core::pose::Pose const &	pose,
		core::Size	resno
	)

References utility::copy_to_cstr_buffer(), interface, erraser_single_res_analysis::out, beta_nonlocal::pose, and str().

Referenced by main().

is_interface_residue()

bool is_interface_residue	(	const char	chain,
		const int	resno
	)

References predPRE::chain, chains, utility::copy_to_cstr_buffer(), interface, erraser_single_res_analysis::out, and str().

Referenced by main().

main()

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

General testing code.

References a, argv, predPRE::chain, chains, utility::io::oc::cout, basic::options::OptionKeys::ddg::ddg, test.T009_Exceptions::e, test.T200_Scoring::emap, utility::graph::Edge::get_node(), getline(), create_a3b_hbs::i, assign_charges::ifs, basic::options::OptionKeys::in::in, basic::init(), interface, interface_resi, interface_residue_ddg(), is_interface_residue(), create_a3b_hbs::j, create_a3b_hbs::k, utility::graph::Node::lower_edge_list_end(), NEW_OPT, option, lactamize::outfile, pyrosetta.distributed.io::pose_from_file, ObjexxFCL::pow(), predPRE::resnum, test.T200_Scoring::rsd1, test.T200_Scoring::rsd2, oop_conformations::scorefxn, legacy_score_vs_rmsd::scores, basic::options::start_file(), and utility::string_split_simple().

Variable Documentation

chains

std::set<char> chains

Referenced by GlycanClashCheckMover::apply(), MPInterfaceStatistics::apply(), calc_B_values(), derive(), dump_efactor_pdb(), utility::get_resnum_and_chain_from_one_tag(), MPInterfaceStatistics::get_size(), MPInterfaceStatistics::init_from_cmd(), is_interface_residue(), HBondReporter::load_job_data(), main(), utility::make_tag_with_dashes(), parse_chains(), read_in_cl_data(), MPInterfaceStatistics::register_options(), utility::options::ResidueChainVectorOption::resnum_and_chain(), rna_features_from_pose(), rna_motif_test(), setup_score_mover(), tf_specificity_test(), and utility::options::ResidueChainVectorOption::value_of().

interface

std::set<std::string> interface

Referenced by interface_residue_ddg(), is_interface_residue(), and main().

interface_resi

std::set<std::string> interface_resi

Referenced by main().

TR

basic::Tracer TR("apps.pilot.david_choose_target_residues.main") ( "apps.pilot.david_choose_target_residues.main"  )

static