protein_ligand_score.h File Reference

Functions to read mol2s. More...

#include <IMP/atom/atom_config.h>
#include "Hierarchy.h"
#include <IMP/core/StatisticalPairScore.h>
#include <IMP/kernel/Model.h>
#include <IMP/kernel/Particle.h>
#include <IMP/kernel/Restraint.h>
#include <IMP/PairScore.h>
#include <IMP/container/PairsRestraint.h>
#include <IMP/algebra/Vector3D.h>
#include <IMP/base/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
	Synonym for IMP::kernel.
	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, false >	IMP::atom::ProteinLigandType
typedef IMP::base::Vector < ProteinLigandType >	IMP::atom::ProteinLigandTypes
typedef IMP::base::Vector < IMP::base::Pointer < ProteinLigandAtomPairScore > >	IMP::atom::ProteinLigandAtomPairScores
typedef IMP::base::Vector < IMP::base::WeakPointer < ProteinLigandAtomPairScore > >	IMP::atom::ProteinLigandAtomPairScoresTemp
typedef IMP::base::Vector < IMP::base::Pointer < ProteinLigandRestraint > >	IMP::atom::ProteinLigandRestraints
typedef IMP::base::Vector < IMP::base::WeakPointer < ProteinLigandRestraint > >	IMP::atom::ProteinLigandRestraintsTemp
void	IMP::atom::add_protein_ligand_score_data (Hierarchy h)

Detailed Description

Functions to read mol2s.

Copyright 2007-2014 IMP Inventors. All rights reserved.

Definition in file protein_ligand_score.h.