Functions to score protein-ligand interactions. More...

#include <IMP/atom/atom_config.h>
#include "Hierarchy.h"
#include <IMP/core/StatisticalPairScore.h>
#include <IMP/Model.h>
#include <IMP/Particle.h>
#include <IMP/Restraint.h>
#include <IMP/PairScore.h>
#include <IMP/container/PairsRestraint.h>
#include <IMP/algebra/Vector3D.h>
#include <IMP/file.h>
#include <limits>

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Classes
class	IMP::atom::ProteinLigandAtomPairScore

class	IMP::atom::ProteinLigandRestraint
	Score a pair of molecules. More...

Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.

	IMP::atom
	Functionality for loading, creating, manipulating and scoring atomic structures.

Protein-ligand scoring
`IMP` provides a statistical scoring function for scoring protein-ligand complexes. See the Ligand Score application for more information.
typedef Key< 783462 >	IMP::atom::ProteinLigandType

typedef IMP::Vector < ProteinLigandType >	IMP::atom::ProteinLigandTypes

typedef IMP::Vector < IMP::Pointer < ProteinLigandAtomPairScore > >	IMP::atom::ProteinLigandAtomPairScores

typedef IMP::Vector < IMP::WeakPointer < ProteinLigandAtomPairScore > >	IMP::atom::ProteinLigandAtomPairScoresTemp

typedef IMP::Vector < IMP::Pointer < ProteinLigandRestraint > >	IMP::atom::ProteinLigandRestraints

typedef IMP::Vector < IMP::WeakPointer < ProteinLigandRestraint > >	IMP::atom::ProteinLigandRestraintsTemp

void	IMP::atom::add_protein_ligand_score_data (Hierarchy h)

Detailed Description

Functions to score protein-ligand interactions.

Definition in file protein_ligand_score.h.

Classes

Namespaces

Protein-ligand scoring

Detailed Description