interface_vector_calculate.cc File Reference

#include <core/select/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 <utility/graph/Graph.hh>
#include <numeric/conversions.hh>
#include <numeric/xyzVector.hh>
#include <numeric/HomogeneousTransform.hh>
#include <cmath>
#include <set>
#include <core/conformation/PointGraphData.hh>
#include <utility/graph/UpperEdgeGraph.hh>
#include <utility/vector1.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::select
	core::select::util

Typedefs
typedef std::pair< std::set< core::Size >, std::set< core::Size > >	core::select::util::InterfacePair
using	core::select::util::HTReal = numeric::HomogeneousTransform< core::Real >

Functions
void	core::select::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::select::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::select::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::select::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::Real >	core::select::util::cbeta_vector (core::conformation::Residue const &res)
	the Cbeta vector(s) from on rsd to another More...
numeric::xyzVector< core::Real >	core::select::util::select_coord_for_residue (core::conformation::Residue const &res)
	the action coordinate for each residue More...
void	core::select::util::fill_in_chain_terminii (core::pose::Pose const &pose, core::Size chain1, core::Size chain2)
	out if res1 and res2 are pointing at eachother More...
utility::vector1_bool	core::select::util::calc_interface_vector (core::pose::Pose const &pose, core::Size const chain1_number, core::Size const chain2_number)
utility::vector1_bool	core::select::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::select::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::select::util::calc_interface_vector (core::pose::Pose const &pose, int const interface_jump)
utility::vector1_bool	core::select::util::calc_interacting_vector (core::pose::Pose const &pose, std::set< core::Size > const &part1res, std::set< core::Size > const &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...
bool	core::select::util::res1_pointed_at_res2 (core::conformation::Residue const &res1, core::conformation::Residue const &res2, core::Real const angle_cutoff, core::Real const dist_cutoff)