ddG_main.cc File Reference

#include <core/types.hh>
#include <core/chemical/AA.hh>
#include <protocols/scoring/Interface.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/ResfileReader.hh>
#include <core/pose/Pose.hh>
#include <basic/options/util.hh>
#include <basic/options/after_opts.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/ddg.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/database/open.hh>
#include <numeric/xyzVector.hh>
#include <fstream>
#include <iostream>
#include <sstream>
#include <cstdlib>
#include <string>
#include <protocols/ddg/ddGMover.hh>
#include <protocols/ddg/ddG_main.hh>
#include <basic/Tracer.hh>
#include <core/import_pose/import_pose.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <ObjexxFCL/format.hh>

Go to the source code of this file.

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.

Constant Groups
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.

Typedefs
typedef utility::vector1 < core::chemical::AA >	mutations
typedef utility::vector1< double >	ddgs

Functions
static basic::Tracer	TR ("pilot_apps.fix_bb_monomer_ddg")
void	protocols::print_ddgs (std::string ddg_out, std::string label, ddgs delta_e_components, ddgs, double total_ddgs)
void	protocols::read_in_mutations (utility::vector1< mutations > &res_to_mut, std::string filename, pose::Pose &pose)
int	protocols::ddG_main ()

Detailed Description

Author

Liz Kellogg ekell.nosp@m.ogg@.nosp@m.u.was.nosp@m.hing.nosp@m.ton.e.nosp@m.du

Definition in file ddG_main.cc.

Typedef Documentation

typedef utility::vector1<double> ddgs

Definition at line 88 of file ddG_main.cc.

typedef utility::vector1<core::chemical::AA> mutations

Definition at line 87 of file ddG_main.cc.

Function Documentation

static basic::Tracer TR ( "pilot_apps.fix_bb_monomer_ddg"  )

static