Rosetta  2020.28
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Functions | Variables
pocket_suggest_target_residues_by_ddg.cc File Reference
#include <iostream>
#include <sstream>
#include <iomanip>
#include <cmath>
#include <core/pose/Pose.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AA.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/scoring/TwelveANeighborGraph.hh>
#include <core/pose/PDBInfo.hh>
#include <core/scoring/rms_util.tmpl.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/after_opts.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/rms_util.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/conversions.hh>
#include <numeric/random/random.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <utility/string_util.hh>
#include <string>
#include <ObjexxFCL/string.functions.hh>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <utility/excn/Exceptions.hh>

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

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[] 
)

Variable Documentation

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