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interface_vector_calculate.cc File Reference
#include <core/pack/task/operation/util/interface_vector_calculate.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/kinematics/FoldTree.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <utility/string_util.hh>
#include <numeric/conversions.hh>
#include <numeric/xyzVector.hh>
#include <numeric/HomogeneousTransform.hh>
#include <cmath>
#include <set>
#include <core/conformation/PointGraphData.hh>
#include <core/graph/UpperEdgeGraph.hh>
#include <utility/vector1.hh>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::pack
 
 core::pack::task
 
 core::pack::task::operation
 
 core::pack::task::operation::util
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::pack
 
 core::pack::task
 
 core::pack::task::operation
 
 core::pack::task::operation::util
 

Typedefs

typedef std::pair< std::set
< core::Size >, std::set
< core::Size > > 
core::pack::task::operation::util::InterfacePair
 
typedef
numeric::HomogeneousTransform
< core::Real
core::pack::task::operation::util::HTReal
 

Functions

void core::pack::task::operation::util::find_interface_pointing_residues_from_neighbs (core::pose::Pose const &pose, InterfacePair const &interface_pair, core::Real const nearby_atom_cutoff, core::Real const vector_angle_cutoff, core::Real const vector_dist_cutoff, utility::vector1_bool &interface_residues)
 looks at the big set and figures out what is actually pointing towards the interface More...
 
bool core::pack::task::operation::util::any_atoms_within_cutoff (core::conformation::Residue &res1, core::conformation::Residue &res2, core::Real cutoff)
 find nearby atoms to other in interface More...
 
InterfacePair core::pack::task::operation::util::find_neighbors_within_CB_cutoff (core::pose::Pose const &pose, core::Real big_cutoff, core::Size chain1, core::Size chain2)
 neighbors to look for vectors within (big set here) More...
 
InterfacePair core::pack::task::operation::util::find_jump_partners_within_CB_cutoff (core::pose::Pose const &pose, core::Real big_cutoff, int jump_num)
 find neighbors to look for vectors within using a big cutoff for CBs More...
 
numeric::xyzVector< core::Realcore::pack::task::operation::util::cbeta_vector (core::conformation::Residue &res)
 the Cbeta vector(s) from on rsd to another More...
 
numeric::xyzVector< core::Realcore::pack::task::operation::util::select_coord_for_residue (core::conformation::Residue &res)
 the action coordinate for each residue More...
 
bool core::pack::task::operation::util::res1_pointed_at_res2 (core::conformation::Residue &res1, core::conformation::Residue &res2, core::Real angle_cutoff, core::Real dist_cutoff)
 out if res1 and res2 are pointing at eachother More...
 
void core::pack::task::operation::util::fill_in_chain_terminii (core::pose::Pose const &pose, core::Size chain1, core::Size chain2)
 
utility::vector1_bool core::pack::task::operation::util::calc_interface_vector (core::pose::Pose const &pose, core::Size const chain1_number, core::Size const chain2_number)
 
utility::vector1_bool core::pack::task::operation::util::calc_interface_vector (core::pose::Pose const &pose, core::Size const chain1_number, core::Size const chain2_number, core::Real const CB_dist_cutoff, core::Real const nearby_atom_cutoff, core::Real const vector_angle_cutoff, core::Real const vector_dist_cutoff)
 
utility::vector1_bool core::pack::task::operation::util::calc_interface_vector (core::pose::Pose const &pose, int const interface_jump, core::Real const CB_dist_cutoff, core::Real const nearby_atom_cutoff, core::Real const vector_angle_cutoff, core::Real const vector_dist_cutoff)
 
utility::vector1_bool core::pack::task::operation::util::calc_interface_vector (core::pose::Pose const &pose, int const interface_jump)
 
utility::vector1_bool core::pack::task::operation::util::calc_interacting_vector (core::pose::Pose const &pose, std::set< core::Size > &part1res, std::set< core::Size > &part2res, core::Real const CB_dist_cutoff, core::Real const nearby_atom_cutoff, core::Real const vector_angle_cutoff, core::Real const vector_dist_cutoff)
 calculate the same thing but don't require an interface More...