#include <AnchorMovers.hh>

Public Member Functions
	AnchoredPerturbMover (protocols::anchored_design::AnchorMoversDataOP interface_in)

virtual	~AnchoredPerturbMover ()

virtual void	apply (core::pose::Pose &pose)

virtual std::string	get_name () const
	Each derived class must specify its name. The class name. More...

bool	get_debug () const
	debugging mode activates a bunch of extra output More...

bool	get_perturb_CCD_off () const
	do not perform CCD style closure (use KIC only) More...

bool	get_perturb_KIC_off () const
	do not perform KIC style closure (use CCD only) More...

bool	get_nonpivot_torsion_sampling () const
	use nonpivot torsion sampling for KIC? More...

core::Real	get_perturb_temp () const
	MC temperature. More...

core::Size	get_perturb_cycles () const
	number of MC cycles More...

bool	get_no_frags () const
	do not use fragments? More...

std::string const &	get_min_type () const
	what minimizer type to use? More...

bool	get_perturb_show () const
	show perturb result structure? More...

void	set_debug (bool const debug)
	debugging mode activates a bunch of extra output More...

void	set_perturb_CCD_off (bool const perturb_CCD_off)
	do not perform CCD style closure (use KIC only) More...

void	set_perturb_KIC_off (bool const perturb_KIC_off)
	do not perform KIC style closure (use CCD only) More...

void	set_nonpivot_torsion_sampling (bool const nonpivot_torsion_sampling)
	use nonpivot torsion sampling for KIC? More...

void	set_perturb_temp (core::Real const perturb_temp)
	MC temperature. More...

void	set_perturb_cycles (core::Size const perturb_cycles)
	number of MC cycles More...

void	set_no_frags (bool const no_frags)
	do not use fragments? More...

void	set_min_type (std::string const &min_type)
	what minimizer type to use? More...

void	set_perturb_show (bool const perturb_show)
	show perturb result structure? More...

void	read_options ()
	read in options from the options system More...

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

virtual	~Mover ()

virtual MoverSP	create ()

virtual void	apply (core::io::serialization::PipeMap &pmap)

virtual void	parse_state (SerializableState const &state)

virtual void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache)

virtual void	save_state (SerializableState &state)

	Mover (std::string const &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...

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)

virtual MoverOP	clone () const
	Return a clone of the Mover object. More...

virtual void	parse_my_tag (TagCOP tag, basic::datacache::DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose)
	Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...

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...

virtual MoverOP	fresh_instance () const
	Generates a new Mover object freshly created with the default ctor. 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...

Private Attributes
protocols::anchored_design::AnchorMoversDataOP	interface_

bool	debug_
	debugging mode activates a bunch of extra output More...

bool	perturb_CCD_off_
	do not perform CCD style closure (use KIC only) More...

bool	perturb_KIC_off_
	do not perform KIC style closure (use CCD only) More...

bool	nonpivot_torsion_sampling_
	use nonpivot torsion sampling for KIC? More...

core::Real	perturb_temp_
	MC temperature. More...

core::Size	perturb_cycles_
	number of MC cycles More...

bool	no_frags_
	do not use fragments? More...

std::string	min_type_
	what minimizer type to use? More...

bool	perturb_show_
	show perturb result structure? More...

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

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...

Constructor & Destructor Documentation

protocols::anchored_design::AnchoredPerturbMover::AnchoredPerturbMover ( protocols::anchored_design::AnchorMoversDataOP interface_in )

References read_options(), and protocols::moves::Mover::type().

protocols::anchored_design::AnchoredPerturbMover::~AnchoredPerturbMover ( )

virtual

Member Function Documentation

void protocols::anchored_design::AnchoredPerturbMover::apply ( core::pose::Pose & pose )

virtual

AnchoredPerturbMover takes a pose, swaps it into centroid mode, and perturbs the structure of its mobile loops. The perturbation step is under Monte Carlo control so it won't finish with a terrible structure. It adds sidechains back on (unchanged relative to the alpha carbon) at the end, but does not repack those sidechains.

Implements protocols::moves::Mover.

References protocols::simple_moves::BackboneMover::angle_max(), protocols::simple_moves::SwitchResidueTypeSetMover::apply(), protocols::simple_moves::ReturnSidechainMover::apply(), core::chemical::CENTROID, protocols::nonlocal::current_job(), debug_, protocols::anchored_design::debug_dump_pose(), protocols::anchored_design::dump_cutpoint_info(), interface_, core::conformation::Residue::is_terminus(), mc, min_type_, MonteCarlo, no_frags_, nonpivot_torsion_sampling_, perturb_CCD_off_, perturb_cycles_, perturb_KIC_off_, perturb_show_, perturb_temp_, core::pack::task::TaskFactory::push_back(), core::pose::Pose::residue(), T_perturb, and utility_exit_with_message.

Referenced by protocols::anchored_design::AnchoredDesignMover::apply().

bool protocols::anchored_design::AnchoredPerturbMover::get_debug ( ) const

debugging mode activates a bunch of extra output

References debug_.

std::string const & protocols::anchored_design::AnchoredPerturbMover::get_min_type ( ) const

what minimizer type to use?

References min_type_.

std::string protocols::anchored_design::AnchoredPerturbMover::get_name ( ) const

virtual

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

bool protocols::anchored_design::AnchoredPerturbMover::get_no_frags ( ) const

do not use fragments?

References no_frags_.

bool protocols::anchored_design::AnchoredPerturbMover::get_nonpivot_torsion_sampling ( ) const

use nonpivot torsion sampling for KIC?

References nonpivot_torsion_sampling_.

bool protocols::anchored_design::AnchoredPerturbMover::get_perturb_CCD_off ( ) const

do not perform CCD style closure (use KIC only)

References perturb_CCD_off_.

core::Size protocols::anchored_design::AnchoredPerturbMover::get_perturb_cycles ( ) const

number of MC cycles

References perturb_cycles_.

bool protocols::anchored_design::AnchoredPerturbMover::get_perturb_KIC_off ( ) const

do not perform KIC style closure (use CCD only)

References perturb_KIC_off_.

bool protocols::anchored_design::AnchoredPerturbMover::get_perturb_show ( ) const

show perturb result structure?

References perturb_show_.

core::Real protocols::anchored_design::AnchoredPerturbMover::get_perturb_temp ( ) const

MC temperature.

References perturb_temp_.

void protocols::anchored_design::AnchoredPerturbMover::read_options ( )

read in options from the options system

References debug, debug_, min_type_, no_frags, no_frags_, nonpivot_torsion_sampling_, option, perturb_CCD_off, perturb_CCD_off_, perturb_cycles, perturb_cycles_, perturb_KIC_off, perturb_KIC_off_, perturb_show, perturb_show_, perturb_temp, and perturb_temp_.

Referenced by AnchoredPerturbMover().

void protocols::anchored_design::AnchoredPerturbMover::set_debug ( bool const debug )

debugging mode activates a bunch of extra output

References debug_.

void protocols::anchored_design::AnchoredPerturbMover::set_min_type ( std::string const & min_type )

what minimizer type to use?

References min_type_.

void protocols::anchored_design::AnchoredPerturbMover::set_no_frags ( bool const no_frags )

do not use fragments?

References no_frags_.

void protocols::anchored_design::AnchoredPerturbMover::set_nonpivot_torsion_sampling ( bool const nonpivot_torsion_sampling )

use nonpivot torsion sampling for KIC?

References nonpivot_torsion_sampling_.

void protocols::anchored_design::AnchoredPerturbMover::set_perturb_CCD_off ( bool const perturb_CCD_off )

do not perform CCD style closure (use KIC only)

References perturb_CCD_off_.

void protocols::anchored_design::AnchoredPerturbMover::set_perturb_cycles ( core::Size const perturb_cycles )

number of MC cycles

References perturb_cycles_.

void protocols::anchored_design::AnchoredPerturbMover::set_perturb_KIC_off ( bool const perturb_KIC_off )

do not perform KIC style closure (use CCD only)

References perturb_KIC_off_.

void protocols::anchored_design::AnchoredPerturbMover::set_perturb_show ( bool const perturb_show )

show perturb result structure?

References perturb_show_.

void protocols::anchored_design::AnchoredPerturbMover::set_perturb_temp ( core::Real const perturb_temp )

MC temperature.

References perturb_temp_.

Member Data Documentation

bool protocols::anchored_design::AnchoredPerturbMover::debug_

private

debugging mode activates a bunch of extra output

Referenced by apply(), get_debug(), read_options(), and set_debug().

protocols::anchored_design::AnchorMoversDataOP protocols::anchored_design::AnchoredPerturbMover::interface_

private

AnchorMoversData object holds scorefunctions, etc, for the AnchoredDesign suite (shared between several movers)

Referenced by apply().

std::string protocols::anchored_design::AnchoredPerturbMover::min_type_

private

what minimizer type to use?

Referenced by apply(), get_min_type(), read_options(), and set_min_type().

bool protocols::anchored_design::AnchoredPerturbMover::no_frags_

private

do not use fragments?

Referenced by apply(), get_no_frags(), read_options(), and set_no_frags().

bool protocols::anchored_design::AnchoredPerturbMover::nonpivot_torsion_sampling_

private

use nonpivot torsion sampling for KIC?

Referenced by apply(), get_nonpivot_torsion_sampling(), read_options(), and set_nonpivot_torsion_sampling().

bool protocols::anchored_design::AnchoredPerturbMover::perturb_CCD_off_

private

do not perform CCD style closure (use KIC only)

Referenced by apply(), get_perturb_CCD_off(), read_options(), and set_perturb_CCD_off().

core::Size protocols::anchored_design::AnchoredPerturbMover::perturb_cycles_

private

number of MC cycles

Referenced by apply(), get_perturb_cycles(), read_options(), and set_perturb_cycles().

bool protocols::anchored_design::AnchoredPerturbMover::perturb_KIC_off_

private

do not perform KIC style closure (use CCD only)

Referenced by apply(), get_perturb_KIC_off(), read_options(), and set_perturb_KIC_off().

bool protocols::anchored_design::AnchoredPerturbMover::perturb_show_

private

show perturb result structure?

Referenced by apply(), get_perturb_show(), read_options(), and set_perturb_show().

core::Real protocols::anchored_design::AnchoredPerturbMover::perturb_temp_

private

MC temperature.

Referenced by apply(), get_perturb_temp(), read_options(), and set_perturb_temp().

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

src/protocols/anchored_design/AnchorMovers.hh
src/protocols/anchored_design/AnchorMovers.cc

Public Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation