Rosetta  2020.46
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Classes | Namespaces | Typedefs | Functions | Variables
supercharge.cc File Reference
#include <devel/init.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/operation/TaskOperation.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/pose_metric_calculators/NeighborsByDistanceCalculator.hh>
#include <protocols/simple_task_operations/RestrictToInterface.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/MetricValue.hh>
#include <basic/Tracer.hh>
#include <utility/exit.hh>
#include <utility/file/FileName.hh>
#include <utility/io/ozstream.hh>
#include <utility/excn/Exceptions.hh>
#include <sstream>
#include <string>
#include <fstream>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <utility/sort_predicates.hh>
#include <cmath>

Classes

class  supercharge
 Adds charged residues to a protein surface. More...
 

Namespaces

 local
 

Typedefs

using Pose = core::pose::Pose
 
using SizeSet = std::set< Size >
 
using superchargeOP = utility::pointer::shared_ptr< supercharge >
 

Functions

int main (int argc, char *argv[])
 

Variables

static basic::Tracer TR ("apps.public.design.supercharge")
 
basic::options::BooleanOptionKey
const 
local::AvNAPSA_positive ("AvNAPSA_positive")
 
basic::options::BooleanOptionKey
const 
local::AvNAPSA_negative ("AvNAPSA_negative")
 
basic::options::BooleanOptionKey
const 
local::target_net_charge_active ("target_net_charge_active")
 
basic::options::IntegerOptionKey
const 
local::target_net_charge ("target_net_charge")
 
basic::options::IntegerOptionKey
const 
local::surface_atom_cutoff ("surface_atom_cutoff")
 
basic::options::IntegerOptionKey
const 
local::surface_residue_cutoff ("surface_residue_cutoff")
 
basic::options::BooleanOptionKey
const 
local::include_arg ("include_arg")
 
basic::options::BooleanOptionKey
const 
local::include_lys ("include_lys")
 
basic::options::BooleanOptionKey
const 
local::include_asp ("include_asp")
 
basic::options::BooleanOptionKey
const 
local::include_glu ("include_glu")
 
basic::options::RealOptionKey const local::refweight_arg ("refweight_arg")
 
basic::options::RealOptionKey const local::refweight_lys ("refweight_lys")
 
basic::options::RealOptionKey const local::refweight_asp ("refweight_asp")
 
basic::options::RealOptionKey const local::refweight_glu ("refweight_glu")
 
basic::options::BooleanOptionKey
const 
local::dont_mutate_glyprocys ("dont_mutate_glyprocys")
 
basic::options::BooleanOptionKey
const 
local::dont_mutate_correct_charge ("dont_mutate_correct_charge")
 
basic::options::BooleanOptionKey
const 
local::dont_mutate_hbonded_sidechains ("dont_mutate_hbonded_sidechains")
 
basic::options::BooleanOptionKey
const 
local::pre_packminpack ("pre_packminpack")
 
basic::options::IntegerOptionKey
const 
local::nstruct ("nstruct")
 
basic::options::BooleanOptionKey
const 
local::compare_residue_energies_all ("compare_residue_energies_all")
 
basic::options::BooleanOptionKey
const 
local::compare_residue_energies_mut ("compare_residue_energies_mut")
 

Typedef Documentation

using Pose = core::pose::Pose
using SizeSet = std::set<Size>
using superchargeOP = utility::pointer::shared_ptr<supercharge>

Function Documentation

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

Variable Documentation

basic::Tracer TR("apps.public.design.supercharge")
static