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LigandConformer.hh File Reference
#include <utility/VirtualBase.hh>
#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <core/id/TorsionID.hh>
#include <numeric/Quaternion.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <map>
#include <protocols/ligand_docking/GALigandDock/TorsionSampler.hh>

Classes

struct  protocols::ligand_docking::ga_ligand_dock::TorsionType
 Gene representation of ligand & flexible sidechains in receptor. More...
 
class  protocols::ligand_docking::ga_ligand_dock::LigandConformer
 

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::ligand_docking
 
 protocols::ligand_docking::ga_ligand_dock
 

Typedefs

typedef utility::vector1
< LigandConformer > 
protocols::ligand_docking::ga_ligand_dock::LigandConformers
 

Functions

LigandConformer protocols::ligand_docking::ga_ligand_dock::mutate (LigandConformer const &l)
 
LigandConformer protocols::ligand_docking::ga_ligand_dock::crossover (LigandConformer const &l1, LigandConformer const &l2)
 
core::Real protocols::ligand_docking::ga_ligand_dock::distance_fast (LigandConformer &gene1, LigandConformer &gene2)
 
std::pair< core::Real, core::Realprotocols::ligand_docking::ga_ligand_dock::distance_internal (LigandConformer const &gene1, LigandConformer const &gene2)
 
core::Real protocols::ligand_docking::ga_ligand_dock::distance_slow (LigandConformer &gene1, LigandConformer &gene2)