Add Membrane protein ligand mover. More...

#include <AddMPLigandMover.hh>

Inheritance diagram for protocols::membrane::AddMPLigandMover:

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

	AddMPLigandMover (core::Size closest_rsd, core::Size ligand_seqpos)
	Add Membrane protein ligand mover (custom) More...

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

	~AddMPLigandMover () 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 &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &) override
	Pase Rosetta Scripts Options for this Mover. More...

void	apply (core::pose::Pose &pose) override
	Mover Methods ///. More...

std::string	get_name () const override
	Show the name of this mvoer. More...

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

	~Mover () override

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 type_name)
	sets the type for a mover; name_ has been removed (2010/05/14) More...

	Mover (Mover const &other)

Mover &	operator= (Mover const &other)
	assignment operator More...

virtual core::Real	last_proposal_density_ratio ()

std::string const &	type () const

void	set_type (std::string const &setting)

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	set_current_tag (std::string const &new_tag)

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

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...

void	type (const std::string &type_in)

std::string	get_type () const

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...

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 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...

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

jobdist::BasicJobCOP	get_current_job () const

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

Static Public Member Functions
static std::string	mover_name ()

static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

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...

Private Attributes
core::Size	closest_rsd_

core::Size	ligand_seqpos_

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 protocols::filters::Filters_map	Filters_map

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

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

Add Membrane protein ligand mover.

Accommodate membrane protein ligand in the membrane foldtree

Constructor & Destructor Documentation

protocols::membrane::AddMPLigandMover::AddMPLigandMover ( )

Constructors ///.

Add membrane protein ligand mover

Attach ligand downstream in the foldtree for refinement at the last residue as a default. DO NOT USE

Referenced by clone(), and fresh_instance().

protocols::membrane::AddMPLigandMover::AddMPLigandMover	(	core::Size	closest_rsd,
		core::Size	ligand_seqpos
	)

Add Membrane protein ligand mover (custom)

Attach ligand downstream in the foldtree of the closest residue to the binding pocket. Also specify sequence position of the ligand

Attach ligand downstream in the foldtree of the closest residue to the binding pocket

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

default

Copy Constructor.

Mkae a deep copy of this mover

protocols::membrane::AddMPLigandMover::~AddMPLigandMover ( )

overridedefault

Destructor.

Member Function Documentation

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

overridevirtual

Mover Methods ///.

Create a new copy of this mover.

Mover Apply Method

Return the Name of this mover (as seen by Rscripts) Mover name for Rosetta Scripts Mover Methods /// Mover Apply Method

Implements protocols::moves::Mover.

References core::pose::Pose::chain(), core::pose::chain_end_res(), closest_rsd_, core::pose::Pose::conformation(), protocols::membrane::create_specific_membrane_foldtree(), core::pose::Pose::fold_tree(), protocols::membrane::get_anchor_points_for_tmcom(), core::conformation::Conformation::is_membrane(), ligand_seqpos_, core::conformation::Conformation::membrane_info(), core::kinematics::FoldTree::reorder(), core::kinematics::FoldTree::show(), core::pose::Pose::size(), and protocols::TR().

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

overridevirtual

Rosetta Scripts Methods ///.

Create a Clone of this mover

Reimplemented from protocols::moves::Mover.

References AddMPLigandMover().

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

overridevirtual

Create a Fresh Instance of this Mover.

Reimplemented from protocols::moves::Mover.

References AddMPLigandMover().

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

overridevirtual

Show the name of this mvoer.

Implements protocols::moves::Mover.

References mover_name().

std::string protocols::membrane::AddMPLigandMover::mover_name ( )

static

Referenced by get_name(), protocols::membrane::AddMPLigandMoverCreator::keyname(), and provide_xml_schema().

void protocols::membrane::AddMPLigandMover::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	,
		protocols::filters::Filters_map const &	,
		protocols::moves::Movers_map const &	,
		core::pose::Pose const &
	)