Rosetta 3.4
Namespaces | Functions
src/protocols/docking/DockingInitialPerturbation.cc File Reference

initial position functions More...

#include <protocols/docking/DockingInitialPerturbation.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <core/pose/Pose.hh>
#include <core/pose/Pose.fwd.hh>
#include <basic/options/option.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <ObjexxFCL/string.functions.hh>
#include <string>
#include <numeric/trig.functions.hh>
#include <numeric/xyzMatrix.fwd.hh>
#include <basic/Tracer.hh>
#include <utility/tools/make_vector1.hh>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <utility/vector1.hh>

Namespaces

namespace  protocols
 

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


namespace  protocols::docking

Functions

static basic::Tracer TR ("protocols.docking.DockingInitialPerturbation")
static core::Size trans (1)
static core::Size rot (2)

Detailed Description

initial position functions

Detailed:
This contains the functions that create initial positions for docking You can either randomize partner 1 or partner 2, spin partner 2, or perform a simple perturbation. Also contains docking mcm protocol
Author:
Monica Berrondo
Detailed:
This contains the functions that create initial positions for docking
Author:
Ingemar Andre

Function Documentation

static core::Size rot ( )

Referenced by core::pack::dunbrack::RotamerConstraint::add_residue(), protocols::simple_moves::symmetry::SymDockingInitialPerturbation::apply(), protocols::simple_filters::ChiWellRmsdEvaluator::apply(), protocols::rigid::RigidBodyDofRandomizeMover::apply(), protocols::docking::DockingInitialPerturbation::apply_body(), core::pack::rotamer_set::bb_independent_rotamers(), core::pack::rotamer_set::build_acceptor_acceptor_waters(), core::pack::rotamer_set::build_dna_rotamers(), core::pack::rotamer_set::build_donor_acceptor_waters(), core::pack::rotamer_set::build_donor_donor_waters(), core::pack::rotamer_set::build_lib_dna_rotamers(), core::pack::rotamer_set::build_random_dna_rotamers(), core::pack::rotamer_set::build_rna_chi_rotamers(), core::pack::rotamer_set::build_rna_rotamers(), core::pack::rotamer_set::RotamerSet_::build_rotamers(), core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete(), protocols::scoring::ImplicitFastClashCheck::clash_check_trimer(), protocols::simple_filters::RotamerBoltzmannWeight::compute_modified_ddG(), core::scoring::packstat::compute_sasa(), core::pack::rotamer_set::create_oriented_water_rotamer(), core::pack::rotamer_set::debug_dump_rotamers(), protocols::electron_density::dockPoseIntoMap(), protocols::protein_interface_design::movers::MapHotspot::GenerateMap(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::get_rotamer_bbdep(), protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo::inverse_rotamers_against_residue(), core::pack::rotamer_set::symmetry::SymmetricRotamerSets::orient_rotamer_set_to_symmetric_partner(), core::pack::rotamer_set::symmetry::SymmetricRotamerSet_::orient_rotamer_set_to_symmetric_partner(), protocols::simple_filters::RotamerBoltzmannWeight::report(), protocols::multistate_design::restrict_to_canonical_aas(), core::pack::dunbrack::rotamer_from_chi(), protocols::toolbox::pose_metric_calculators::RotamerRecovery::rots_from_pose(), protocols::comparative_modeling::rots_from_pose(), protocols::motifs::LigandMotifSearch::run(), core::pack::dunbrack::RotamerConstraint::score(), core::pack::dunbrack::DunbrackConstraint::score(), protocols::rbsegment_relax::RBSegmentRelax::set_genericRBMoveStepsize(), protocols::rotamer_recovery::PerNativeRRReporterHuman::set_native(), protocols::optimize_weights::PNatAAOptEPositionData::write_to_binary_file(), protocols::optimize_weights::PNatAAOptEPositionData::write_to_file(), and protocols::optimize_weights::NestedEnergyTermPNatAAOptEPositionData::write_to_file().

static basic::Tracer TR ( "protocols.docking.DockingInitialPerturbation"  ) [static]
static core::Size trans ( ) [static]
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines