Rosetta  2019.47
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Attributes | List of all members
zinc1_homodimer_design Class Reference
Inheritance diagram for zinc1_homodimer_design:
Inheritance graph
[legend]

Public Member Functions

 zinc1_homodimer_design ()
 
 zinc1_homodimer_design (Size lowres_symmetric_design_cycles, Size highres_symmetric_design_cycles, bool gridsearch_rollmove_angles)
 
virtual ~zinc1_homodimer_design ()
 
virtual void apply (Pose &pose)
 
virtual void setup (Pose &pose)
 
virtual void setup_output_tag ()
 
virtual void setup_metalsite (Pose const &pose)
 
virtual void setup_metalsite_constraints (Pose &pose)
 
virtual void setup_taskfactory (Pose &pose)
 
virtual void setup_scorefunctions ()
 
virtual void setup_movemap_bb_chi (Pose &pose)
 
virtual void setup_movers ()
 
virtual void setup_rollmoving (Pose const &pose)
 
virtual void gridsearch_rollmove_angles (Pose &pose)
 
virtual void design_symmetric_homodimer_interface (Pose &pose)
 
virtual std::string get_name () const
 

Private Attributes

Size lowres_symmetric_design_cycles_
 
Size highres_symmetric_design_cycles_
 
bool gridsearch_rollmove_angles_
 
Pose starting_monomer_pose_
 
Pose centroid_
 
Pose starting_centroid_pose_
 
Pose starting_fullatom_pose_
 
utility::vector1
< protocols::metal_interface::MetalSiteResidueOP > 
msr_
 
core::pack::task::TaskFactoryCOP taskfactory_
 
core::scoring::ScoreFunctionOP softrep_sym_scorefxn_
 
core::scoring::ScoreFunctionOP sym_scorefxn_
 
core::scoring::ScoreFunctionOP no_constraints_scorefxn_for_ddG_calc_
 
core::scoring::ScoreFunctionOP centroid_scorefxn_for_ddG_calc_
 
core::scoring::ScoreFunctionOP metal_scorefxn_
 
core::scoring::ScoreFunctionOP pair_scorefxn_
 
core::scoring::ScoreFunctionOP angle_scorefxn_
 
core::scoring::ScoreFunctionOP dihed_scorefxn_
 
core::kinematics::FoldTree interface_scorable_tree_
 
core::kinematics::MoveMapOP sc_move_map_
 
core::kinematics::MoveMapOP sc_bb_move_map_
 
protocols::minimization_packing::PackRotamersMoverOP sym_pack_mover_
 
protocols::RotamerTrialsMoverOP sym_rottrials_mover_
 
protocols::minimization_packing::MinMoverOP softrep_min_mover_
 
protocols::minimization_packing::MinMoverOP sc_min_mover_
 
protocols::minimization_packing::MinMoverOP sc_bb_min_mover_
 
protocols::moves::MonteCarloOP mc_
 
protocols::anchored_design::InterfaceAnalyzerMoverOP interface_analyzer_
 
protocols::rigid::RollMoverOP zmover_
 
protocols::rigid::RollMoverOP ymover_
 
protocols::rigid::RollMoverOP xmover_
 
Pose best_pose_
 
Real best_ddG_
 
std::string output_tag_
 
std::string output_tag_base_
 
std::string pdbname_
 
std::string pdbname_base_
 

Constructor & Destructor Documentation

zinc1_homodimer_design::zinc1_homodimer_design ( )
inline
zinc1_homodimer_design::zinc1_homodimer_design ( Size  lowres_symmetric_design_cycles,
Size  highres_symmetric_design_cycles,
bool  gridsearch_rollmove_angles 
)
inline
virtual zinc1_homodimer_design::~zinc1_homodimer_design ( )
inlinevirtual

Member Function Documentation

virtual void zinc1_homodimer_design::apply ( Pose pose)
inlinevirtual
virtual void zinc1_homodimer_design::design_symmetric_homodimer_interface ( Pose pose)
inlinevirtual
virtual std::string zinc1_homodimer_design::get_name ( ) const
inlinevirtual
virtual void zinc1_homodimer_design::gridsearch_rollmove_angles ( Pose pose)
inlinevirtual
virtual void zinc1_homodimer_design::setup ( Pose pose)
inlinevirtual
virtual void zinc1_homodimer_design::setup_metalsite ( Pose const &  pose)
inlinevirtual

References TR.

virtual void zinc1_homodimer_design::setup_metalsite_constraints ( Pose pose)
inlinevirtual
virtual void zinc1_homodimer_design::setup_movemap_bb_chi ( Pose pose)
inlinevirtual

References TR.

virtual void zinc1_homodimer_design::setup_movers ( )
inlinevirtual
virtual void zinc1_homodimer_design::setup_output_tag ( )
inlinevirtual

References local::output_name.

virtual void zinc1_homodimer_design::setup_rollmoving ( Pose const &  pose)
inlinevirtual
virtual void zinc1_homodimer_design::setup_scorefunctions ( )
inlinevirtual
virtual void zinc1_homodimer_design::setup_taskfactory ( Pose pose)
inlinevirtual

Member Data Documentation

core::scoring::ScoreFunctionOP zinc1_homodimer_design::angle_scorefxn_
private
Real zinc1_homodimer_design::best_ddG_
private
Pose zinc1_homodimer_design::best_pose_
private
Pose zinc1_homodimer_design::centroid_
private
core::scoring::ScoreFunctionOP zinc1_homodimer_design::centroid_scorefxn_for_ddG_calc_
private
core::scoring::ScoreFunctionOP zinc1_homodimer_design::dihed_scorefxn_
private
bool zinc1_homodimer_design::gridsearch_rollmove_angles_
private
Size zinc1_homodimer_design::highres_symmetric_design_cycles_
private
protocols::anchored_design::InterfaceAnalyzerMoverOP zinc1_homodimer_design::interface_analyzer_
private
core::kinematics::FoldTree zinc1_homodimer_design::interface_scorable_tree_
private
Size zinc1_homodimer_design::lowres_symmetric_design_cycles_
private
protocols::moves::MonteCarloOP zinc1_homodimer_design::mc_
private
core::scoring::ScoreFunctionOP zinc1_homodimer_design::metal_scorefxn_
private
utility::vector1< protocols::metal_interface::MetalSiteResidueOP > zinc1_homodimer_design::msr_
private
core::scoring::ScoreFunctionOP zinc1_homodimer_design::no_constraints_scorefxn_for_ddG_calc_
private
std::string zinc1_homodimer_design::output_tag_
private
std::string zinc1_homodimer_design::output_tag_base_
private
core::scoring::ScoreFunctionOP zinc1_homodimer_design::pair_scorefxn_
private
std::string zinc1_homodimer_design::pdbname_
private
std::string zinc1_homodimer_design::pdbname_base_
private
protocols::minimization_packing::MinMoverOP zinc1_homodimer_design::sc_bb_min_mover_
private
core::kinematics::MoveMapOP zinc1_homodimer_design::sc_bb_move_map_
private
protocols::minimization_packing::MinMoverOP zinc1_homodimer_design::sc_min_mover_
private
core::kinematics::MoveMapOP zinc1_homodimer_design::sc_move_map_
private
protocols::minimization_packing::MinMoverOP zinc1_homodimer_design::softrep_min_mover_
private
core::scoring::ScoreFunctionOP zinc1_homodimer_design::softrep_sym_scorefxn_
private
Pose zinc1_homodimer_design::starting_centroid_pose_
private
Pose zinc1_homodimer_design::starting_fullatom_pose_
private
Pose zinc1_homodimer_design::starting_monomer_pose_
private
protocols::minimization_packing::PackRotamersMoverOP zinc1_homodimer_design::sym_pack_mover_
private
protocols::RotamerTrialsMoverOP zinc1_homodimer_design::sym_rottrials_mover_
private
core::scoring::ScoreFunctionOP zinc1_homodimer_design::sym_scorefxn_
private
core::pack::task::TaskFactoryCOP zinc1_homodimer_design::taskfactory_
private
protocols::rigid::RollMoverOP zinc1_homodimer_design::xmover_
private
protocols::rigid::RollMoverOP zinc1_homodimer_design::ymover_
private
protocols::rigid::RollMoverOP zinc1_homodimer_design::zmover_
private

The documentation for this class was generated from the following file: