design_utils.hh File Reference

#include <utility/exit.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <list>
#include <set>
#include <utility/vector1.hh>

Classes
class	protocols::protein_interface_design::ReportSequenceDifferences
class	protocols::protein_interface_design::Revert
class	protocols::protein_interface_design::FavorNativeResidue
class	protocols::protein_interface_design::FavorNonNativeResidue

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

Functions
core::Real	protocols::protein_interface_design::sum_total_residue_energy (pose::Pose const &pose, core::Size const resid)
void	protocols::protein_interface_design::MinimizeInterface (core::pose::Pose &pose, core::scoring::ScoreFunctionCOP scorefxn, utility::vector1< bool > const &min_bb, utility::vector1< bool > const &min_sc, utility::vector1< bool > const &min_rb, bool const optimize_foldtree, utility::vector1< core::Size > const &target_residues, bool const simultaneous_minimization=false)
	utility function for minimizing sidechain in rigid-body dof, the interface sc, and bb in the entire protein. More...
void	protocols::protein_interface_design::SymMinimizeInterface (pose::Pose &pose, core::scoring::ScoreFunctionCOP scorefxn, utility::vector1< bool > const &min_bb, utility::vector1< bool > const &min_sc, utility::vector1< bool > const &min_rb, bool const simultaneous_minimization)
std::list< core::Size >	protocols::protein_interface_design::hbonded (core::pose::Pose const &pose, core::Size const target_residue, std::set< core::Size > const &binders, bool const bb, bool const sc, core::Real const energy_thres, bool const bb_bb=false, core::scoring::ScoreFunctionOP sfxn=nullptr)
	utility function for finding hbonding partners among a list of potential binder residues to a specific target More...
std::list< core::Size >	protocols::protein_interface_design::hbonded_atom (core::pose::Pose const &pose, core::Size const target_residue, std::string const &target_atom, std::set< core::Size > const &binders, bool const bb, bool const sc, core::Real const energy_thres, bool const bb_bb=false, core::scoring::ScoreFunctionOP sfxn=nullptr)
	utility function for finding hbonding partners among a list of potential binder residues to a specific target More...