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Classes | Functions
protocols::ligand_docking::ligand_options Namespace Reference

Classes

class  Interface
 For each residue is it in the interface, a mobile region or a non-mobile region? More...
 
struct  InterfaceInfo
 info for each residue- is it part of the interface and if so, what ligands is it near More...
 

Functions

std::ostream & operator<< (std::ostream &output, Interface const &interface)
 
static basic::Tracer interface_distance_tracer ("protocols.ligand_docking.ligand_options.InterfaceBuilder", basic::t_debug)
 
bool check_all_ligand_atoms (core::conformation::Residue const &ligand_interface_residue, core::Vector const &potential_interface_vector, core::Real const cutoff)
 
bool check_neighbor_ligand_atom (core::conformation::Residue const &ligand_interface_residue, core::Vector const &potential_interface_vector, core::Real const cutoff)
 
bool is_interface_vector (core::Vector const &questionable_vector, core::Vector const &ligand_vector, core::Real const cutoff_squared)
 

Function Documentation

bool protocols::ligand_docking::ligand_options::check_all_ligand_atoms ( core::conformation::Residue const &  ligand_interface_residue,
core::Vector const &  potential_interface_vector,
core::Real const  cutoff 
)
bool protocols::ligand_docking::ligand_options::check_neighbor_ligand_atom ( core::conformation::Residue const &  ligand_interface_residue,
core::Vector const &  potential_interface_vector,
core::Real const  cutoff 
)
static basic::Tracer protocols::ligand_docking::ligand_options::interface_distance_tracer ( "protocols.ligand_docking.ligand_options.InterfaceBuilder"  ,
basic::t_debug   
)
static
bool protocols::ligand_docking::ligand_options::is_interface_vector ( core::Vector const &  questionable_vector,
core::Vector const &  ligand_vector,
core::Real const  cutoff_squared 
)
std::ostream & protocols::ligand_docking::ligand_options::operator<< ( std::ostream &  output,
Interface const &  interface 
)