IMP Reference Guide
2.20.2
The Integrative Modeling Platform
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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>
Go to the source code of this file.
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 | |
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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) |
Functions to score protein-ligand interactions.
Copyright 2007-2022 IMP Inventors. All rights reserved.
Definition in file protein_ligand_score.h.