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IMP Reference Guide
develop.4390929e3e,2024/11/11
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
atom
version 20241111.develop.4390929e3e
EzRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/atom/EzRestraint.h
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* \brief Ez potential. A statistical scoring function for atom proteins
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*
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* Copyright 2007-2022 IMP Inventors. All rights reserved.
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*/
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#ifndef IMPATOM_EZ_RESTRAINT_H
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#define IMPATOM_EZ_RESTRAINT_H
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#include <IMP/atom/atom_config.h>
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#include <
IMP/Restraint.h
>
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#include <
IMP/Particle.h
>
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#include <
IMP/UnaryFunction.h
>
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#include <
IMP/base_types.h
>
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#include <string>
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IMPATOM_BEGIN_NAMESPACE
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//! Ez Potential restraint
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/** Ez, a Depth-dependent Potential for Assessing the Energies of
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Insertion of Amino Acid Side-chains into Membranes.
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Senes et al. J. Mol. Biol. (2007) 366, 436–448
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*/
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class
IMPATOMEXPORT
EzRestraint
:
public
Restraint
{
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ParticleIndexes
ps_;
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UnaryFunctions
ufs_;
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void
setup();
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Floats
get_parameters(std::string restype);
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protected
:
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virtual
double
unprotected_evaluate
(
DerivativeAccumulator
*da)
const
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override
;
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virtual
ModelObjectsTemp
do_get_inputs
()
const override
;
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public
:
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EzRestraint
(
Model
*m,
ParticleIndexesAdaptor
ps);
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IMP_OBJECT_METHODS
(
EzRestraint
);
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};
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IMPATOM_END_NAMESPACE
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#endif
/* IMPATOM_EZ_RESTRAINT_H */
base_types.h
Basic types used by IMP.
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
UnaryFunction.h
Single variable function.
IMP::Restraint::unprotected_evaluate
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
IMP::Vector< ParticleIndex, std::allocator< ParticleIndex > >
IMP::ParticleIndexesAdaptor
Take Decorator, Particle or ParticleIndex.
Definition:
particle_index.h:50
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:86
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
IMP::atom::EzRestraint
Ez Potential restraint.
Definition:
EzRestraint.h:25
Restraint.h
Abstract base class for all restraints.
IMP::ModelObject::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const =0
IMP::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition:
DerivativeAccumulator.h:24
IMP::Restraint
A restraint is a term in an IMP ScoringFunction.
Definition:
Restraint.h:56