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cartesian_minimize.cc File Reference

Atom tree minimization functions. More...

#include <core/optimization/cartesian_minimize.hh>
#include <core/pose/symmetry/util.hh>
#include <core/conformation/symmetry/SymmetryInfo.hh>
#include <core/conformation/symmetry/SymmetricConformation.hh>
#include <core/scoring/symmetry/SymmetricEnergies.hh>
#include <core/optimization/types.hh>
#include <core/optimization/CartesianMultifunc.hh>
#include <core/optimization/NumericalDerivCheckResult.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Conformation.hh>
#include <core/scoring/DerivVectorPair.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/MinimizationGraph.hh>
#include <ObjexxFCL/format.hh>
#include <numeric/constants.hh>
#include <numeric/conversions.hh>
#include <basic/Tracer.hh>
#include <core/optimization/CartesianMinimizerMap.hh>
#include <utility/vector1.hh>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::optimization
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::optimization
 

Functions

static basic::Tracer core::optimization::TR ("core.optimization")
 
void core::optimization::cartesian_dfunc (pose::Pose &pose, CartesianMinimizerMap &min_map, scoring::ScoreFunction const &scorefxn, Multivec const &vars, Multivec &dE_dvars)
 
void core::optimization::cartesian_collect_atompairE_deriv (pose::Pose &pose, CartesianMinimizerMap &min_map, scoring::ScoreFunction const &scorefxn, Multivec &dE_dvars, core::Real scale)
 
void core::optimization::cartesian_collect_torsional_deriv (pose::Pose &pose, CartesianMinimizerMap &min_map, core::scoring::ScoreFunction const &scorefxn, Multivec &dE_dvars, core::Real scale)
 
void core::optimization::cart_numerical_derivative_check (CartesianMinimizerMap const &min_map, CartesianMultifunc const &func, Multivec const &start_vars, Multivec const &dE_dvars, NumericalDerivCheckResultOP deriv_check_result, bool const verbose)
 
void core::optimization::tors_deriv_to_cartesian (Real dE_dtor, VectorQuad const &coords, VectorQuad &dE_dxs)
 

Detailed Description

Atom tree minimization functions.

Author
Frank DiMaio