Rotates the pose such that a vector in the old orientation will be overlayed in the new orientation. Requires two vectors (old and new) and a point on the new vector around which the rotation takes place. The mover is a general mover but used mainly on membrane proteins. For membrane proteins, the two vectors will be the old and new normal and the point will be the new center. The default jump is going to be the membrane jump, but you can also specify your own. The rotation happens around the axis perpendicular to both vectors with an angle enclosed by both vectors. More...

#include <TranslationRotationMover.hh>

Inheritance diagram for protocols::membrane::RotationMover:

[legend]

Public Member Functions
	RotationMover ()
	Constructors ///. More...

	RotationMover (core::Vector old_normal, core::Vector new_normal, core::Vector rot_center)
	Custom Constructor. More...

	RotationMover (core::Vector old_normal, core::Vector new_normal, core::Vector rot_center, core::Size jumpnum)
	Custom Constructor. More...

	RotationMover (core::Vector old_normal, core::Vector new_normal, core::Vector rot_center, core::Size jumpnum, core::Real azimuthal_angle)
	Custom Constructor. More...

	RotationMover (RotationMover const &src)
	Copy Constructor. More...

	~RotationMover () override
	Destructor. More...

protocols::moves::MoverOP	clone () const override
	Rosetta Scripts Methods ///. More...

protocols::moves::MoverOP	fresh_instance () const override
	Create a Fresh Instance of this Mover. More...

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
	Pase Rosetta Scripts Options for this Mover. More...

std::string	get_name () const override
	Mover Methods ///. More...

void	apply (core::pose::Pose &pose) override
	Rotate the pose - see above. More...

Public Member Functions inherited from protocols::moves::Mover
	Mover ()

virtual MoverOP	create ()

MoverCOP	get_self_ptr () const

MoverOP	get_self_ptr ()

MoverCAP	get_self_weak_ptr () const

MoverAP	get_self_weak_ptr ()

	Mover (std::string const &type_name)
	sets the type for a mover; name_ has been removed (2010/05/14) More...

virtual void	test_move (Pose &pose)
	: Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More...

virtual bool	reinitialize_for_each_job () const
	Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on each use. More...

virtual bool	reinitialize_for_new_input () const
	Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose). More...

MoverStatus	get_last_move_status () const
	end parser interface, start Job Distributor interface///////////// More...

void	reset_status ()
	resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More...

virtual core::pose::PoseOP	get_additional_output ()
	Mechanism by which a mover may return multiple output poses from a single input pose. More...

void	set_type (std::string const &setting)
	Set the 'type' string. More...

std::string	get_type () const

void	type (const std::string &type_in)
	Set the 'type' string. More...

std::string const &	type () const
	Get the set 'type' string. More...

virtual void	set_input_pose (PoseCOP pose)
	setter for poses contained for rms More...

virtual void	set_native_pose (PoseCOP pose)
	setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More...

PoseCOP	get_input_pose () const

PoseCOP	get_native_pose () const

void	set_current_job (protocols::jobdist::BasicJobCOP job)

jobdist::BasicJobCOP	get_current_job () const

virtual void	set_current_tag (std::string const &new_tag)

std::string	get_current_tag () const
	A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More...

virtual void	show (std::ostream &output=std::cout) const
	Outputs details about the Mover, including current settings. More...

virtual core::Real	last_proposal_density_ratio ()

virtual void	clear_info ()
	Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More...

virtual Strings &	info ()
	non-const accessor More...

virtual Strings const &	info () const
	const accessor More...

virtual void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const
	Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Private Member Functions
void	register_options ()
	Setup Methods ///. More...

void	init_from_cmd ()
	Initialize Mover options from the commandline. More...

Private Attributes
core::Vector	old_normal_

core::Vector	new_normal_

core::Vector	rot_center_

core::Size	jumpnum_

core::Real	azimuthal_angle_

Additional Inherited Members
Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP	TagCOP

typedef core::pose::Pose	Pose

typedef core::pose::PoseCOP	PoseCOP

typedef std::list< std::string >	Strings

Static Public Member Functions inherited from protocols::moves::Mover
static std::string	name ()

static void	register_options ()
	Overload this static method if you access options within the mover. More...

Protected Member Functions inherited from protocols::moves::Mover
void	set_last_move_status (MoverStatus status)
	nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More...

Detailed Description

Rotates the pose such that a vector in the old orientation will be overlayed in the new orientation. Requires two vectors (old and new) and a point on the new vector around which the rotation takes place. The mover is a general mover but used mainly on membrane proteins. For membrane proteins, the two vectors will be the old and new normal and the point will be the new center. The default jump is going to be the membrane jump, but you can also specify your own. The rotation happens around the axis perpendicular to both vectors with an angle enclosed by both vectors.

Constructor & Destructor Documentation

◆ RotationMover() [1/5]

protocols::membrane::RotationMover::RotationMover ( )

Constructors ///.

Rotates the pose such that a vector in the old orientation will be overlayed in the new orientation. Requires two vectors (old and new) and a point on the new vector around which the rotation takes place. The mover is a general mover but used mainly on membrane proteins. For membrane proteins, the two vectors will be the old and new normal and the point will be the new center. The default jump is going to be the membrane jump, but you can also specify your own. The rotation happens around the axis perpendicular to both vectors with an angle enclosed by both vectors.

Default Constructor

Uses the -mp:setup center and normal flags

References init_from_cmd(), and register_options().

◆ RotationMover() [2/5]

protocols::membrane::RotationMover::RotationMover	(	core::Vector	old_normal,
		core::Vector	new_normal,
		core::Vector	rot_center
	)

Custom Constructor.

User can specify an old normal, a new normal, and a new center around which the rotation takes place

References init_from_cmd(), and register_options().

◆ RotationMover() [3/5]

protocols::membrane::RotationMover::RotationMover	(	core::Vector	old_normal,
		core::Vector	new_normal,
		core::Vector	rot_center,
		core::Size	jumpnum
	)

Custom Constructor.

User can specify an old normal, a new normal, and a new center around which the rotation takes place on this particular jump; operation happens on the downstream stub

References init_from_cmd(), and register_options().

◆ RotationMover() [4/5]

protocols::membrane::RotationMover::RotationMover	(	core::Vector	old_normal,
		core::Vector	new_normal,
		core::Vector	rot_center,
		core::Size	jumpnum,
		core::Real	azimuthal_angle
	)

Custom Constructor.

Custom Constructor //.

User can specify the same normal twice as old_normal_ and new_normal_, and a new center around which the rotation takes place on this particular jump; operation happens on the downstream stub. azimuthal_angle is the angle to be rotated about the normal.

User can specify an old normal, a new normal, and a new center // around which the rotation takes place on this particular jump; // operation happens on the downstream stub and the azimuthal angle

References init_from_cmd(), and register_options().

◆ RotationMover() [5/5]

protocols::membrane::RotationMover::RotationMover ( RotationMover const & src )

default

Copy Constructor.

Create a deep copy of this mover

◆ ~RotationMover()

protocols::membrane::RotationMover::~RotationMover ( )

overridedefault

Destructor.

Member Function Documentation

◆ apply()

void protocols::membrane::RotationMover::apply ( core::pose::Pose & pose )

overridevirtual

Rotate the pose - see above.

Translate the pose along the defined vector.

Implements protocols::moves::Mover.

References protocols::rigid::RigidBodyDeterministicSpinMover::apply(), azimuthal_angle_, core::pose::Pose::conformation(), core::pose::Pose::fold_tree(), core::conformation::Conformation::is_membrane(), protocols::membrane::is_membrane_fixed(), jumpnum_, core::pose::Pose::membrane_info(), new_normal_, old_normal_, rot_center_, core::kinematics::FoldTree::show(), protocols::TR(), and core::conformation::Conformation::upstream_jump_stub().

◆ clone()

protocols::moves::MoverOP protocols::membrane::RotationMover::clone ( ) const

overridevirtual

Rosetta Scripts Methods ///.

Create a Clone of this mover

Reimplemented from protocols::moves::Mover.

◆ fresh_instance()

protocols::moves::MoverOP protocols::membrane::RotationMover::fresh_instance ( ) const

overridevirtual

Create a Fresh Instance of this Mover.

Reimplemented from protocols::moves::Mover.

◆ get_name()

std::string protocols::membrane::RotationMover::get_name ( ) const

overridevirtual

Mover Methods ///.

Get the name of this Mover (RotationMover)

Get the name of this Mover

Implements protocols::moves::Mover.

◆ init_from_cmd()

void protocols::membrane::RotationMover::init_from_cmd ( )

private

Initialize Mover options from the commandline.

Initialize mover settings from the commandline using the mp:setup center and normal flags

Initialize mover settings from the commandline using the mp:setup center flag

References new_normal_, protocols::membrane::read_center_normal_from_cmd(), and rot_center_.

Referenced by RotationMover().

◆ parse_my_tag()

void protocols::membrane::RotationMover::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &
	)

overridevirtual

Pase Rosetta Scripts Options for this Mover.

Reimplemented from protocols::moves::Mover.

References new_normal_, protocols::membrane::read_center_normal_from_tag(), and rot_center_.

◆ register_options()

void protocols::membrane::RotationMover::register_options ( )

private

Setup Methods ///.

Register Options from Command Line

Register mover-relevant options with JD2 - includes mp:setup options: center and normal

Register Options from Command Line

Register mover-relevant options with JD2 - includes mp:setup options: center

References core::conformation::membrane::center, and core::conformation::membrane::normal.

Referenced by RotationMover().

Member Data Documentation

◆ azimuthal_angle_

core::Real protocols::membrane::RotationMover::azimuthal_angle_

private

Referenced by apply().

◆ jumpnum_

core::Size protocols::membrane::RotationMover::jumpnum_

private

Referenced by apply().

◆ new_normal_

core::Vector protocols::membrane::RotationMover::new_normal_

private

Referenced by apply(), init_from_cmd(), and parse_my_tag().

◆ old_normal_

core::Vector protocols::membrane::RotationMover::old_normal_

private

Referenced by apply().

◆ rot_center_

core::Vector protocols::membrane::RotationMover::rot_center_

private

Referenced by apply(), init_from_cmd(), and parse_my_tag().

The documentation for this class was generated from the following files:

src/protocols/membrane/TranslationRotationMover.hh
src/protocols/membrane/TranslationRotationMover.cc

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ RotationMover() [1/5]

◆ RotationMover() [2/5]

◆ RotationMover() [3/5]

◆ RotationMover() [4/5]

◆ RotationMover() [5/5]

◆ ~RotationMover()

Member Function Documentation

◆ apply()

◆ clone()

◆ fresh_instance()

◆ get_name()

◆ init_from_cmd()

◆ parse_my_tag()

◆ register_options()

Member Data Documentation

◆ azimuthal_angle_

◆ jumpnum_

◆ new_normal_

◆ old_normal_

◆ rot_center_