BALL
1.5.0
include
BALL
DOCKING
COMMON
flexDefinition.h
Go to the documentation of this file.
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// ----------------------------------------------------
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// $Maintainer: Marc Röttig $
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// $Authors: Marc Röttig $
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// ----------------------------------------------------
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#ifndef BALL_DOCKING_COMMON_FLEXDEFINITION_H
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#define BALL_DOCKING_COMMON_FLEXDEFINITION_H
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#include <
BALL/KERNEL/protein.h
>
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namespace
BALL
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{
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class
BALL_EXPORT
FlexDefinition
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{
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public
:
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enum
RotamerLibrary
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{
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DUNBRACK = 0,
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LOVELL
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};
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static
FlexDefinition
Rigid
();
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BALL_CREATE
(
FlexDefinition
)
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FlexDefinition
();
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virtual ~
FlexDefinition
();
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void
addFullyFlexibleResidue(
Position
idx);
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vector<
Position
> getFullyFlexibleResidues() const;
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void
addRotamerFlexibleResidue(
Position
idx);
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vector<
Position
> getRotamerFlexibleResidues() const;
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private:
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vector<
Position
> fully_flexible_;
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vector<
Position
> rotamer_flexible_;
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};
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}
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#endif
/* BALL_DOCKING_COMMON_FLEXDEFINITION_H */
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::FlexDefinition::Rigid
static FlexDefinition Rigid()
BALL::FlexDefinition::RotamerLibrary
RotamerLibrary
Definition:
flexDefinition.h:22
BALL
Definition:
constants.h:13
protein.h
BALL_SIZE_TYPE
BALL::FlexDefinition
Definition:
flexDefinition.h:18
BALL_CREATE
#define BALL_CREATE(name)
Definition:
create.h:62
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