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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>

Namespaces

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

Typedefs

using mutations = utility::vector1< core::chemical::AA >
 
using ddgs = utility::vector1< core::Real >
 

Functions

static basic::Tracer TR ("pilot_apps.fix_bb_monomer_ddg")
 
void protocols::print_ddgs (std::string const &ddg_out, std::string const &label, ddgs const &delta_e_components, ddgs const &, core::Real 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

Typedef Documentation

using ddgs = utility::vector1<core::Real>
using mutations = utility::vector1<core::chemical::AA>

Function Documentation

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