scores a fragment by its crmsd to the given reference structure More...

Inheritance diagram for protocols::frag_picker::scores::FragmentAllAtomCrmsd:

Collaboration diagram for protocols::frag_picker::scores::FragmentAllAtomCrmsd:

Public Member Functions
	FragmentAllAtomCrmsd (Size, Real, bool, std::string, core::pose::PoseOP)
	creates a crmsd-based scoring function. More...

	FragmentAllAtomCrmsd (Size, Real, bool, std::string, utility::vector1< utility::vector1< Real > >)
	creates a crmsd-based scoring function. More...

	~FragmentAllAtomCrmsd ()

bool	score (FragmentCandidateOP, FragmentScoreMapOP)

Public Member Functions inherited from protocols::frag_picker::scores::FragmentScoringMethod
	FragmentScoringMethod (Size priority, Real lowest_acceptable_value, bool use_lowest, std::string name)

std::string &	get_score_name ()
	Returns a name of this scoring method. More...

Size	get_id ()
	Returns an integer index assigned to this scoring method by a scoring manager. More...

void	set_id (Size id)
	Sets a new integer index for this scoring method. More...

Size	get_priority ()
	Returns a priority of this scoring method. More...

Real	get_min_allowed_score ()
	Returns the lowest acceptable score value for this scoring method. More...

bool	get_use_lowest ()
	Returns the boolean choice on using the above lowest acceptable score value. More...

void	set_min_allowed_score (Real lowest_acceptable_value)
	Sets a new value of the lowest acceptable score. More...

Private Member Functions
void	fill_coords (core::pose::Pose const &, FArray2_double &, Size, std::string)

Additional Inherited Members
Protected Attributes inherited from protocols::frag_picker::scores::FragmentScoringMethod
Size	id_

Size	priority_

std::string	name_

Real	lowest_acceptable_value_

bool	use_lowest_

Detailed Description

scores a fragment by its crmsd to the given reference structure

Definition at line 44 of file FragmentAllAtomCrmsd.hh.

Constructor & Destructor Documentation

protocols::frag_picker::scores::FragmentAllAtomCrmsd::FragmentAllAtomCrmsd	(	Size	priority,
		Real	lowest_acceptable_value,
		bool	use_lowest,
		std::string	query_sequence,
		core::pose::PoseOP	reference_pose
	)

creates a crmsd-based scoring function.

Detailed: fragments will be compared to a given pose, which should have the same number of residues a the query sequence

Definition at line 59 of file FragmentAllAtomCrmsd.cc.

protocols::frag_picker::scores::FragmentAllAtomCrmsd::FragmentAllAtomCrmsd	(	Size	priority,
		Real	lowest_acceptable_value,
		bool	use_lowest,
		std::string	query_sequence,
		utility::vector1< utility::vector1< Real > >	xyz
	)

creates a crmsd-based scoring function.

Detailed: fragments will be compared to given coordinates, which should have the same number of residues a the query sequence

Definition at line 73 of file FragmentAllAtomCrmsd.cc.

protocols::frag_picker::scores::FragmentAllAtomCrmsd::~FragmentAllAtomCrmsd ( )

Definition at line 57 of file FragmentAllAtomCrmsd.cc.

void protocols::frag_picker::scores::FragmentAllAtomCrmsd::fill_coords	(	core::pose::Pose const &	pose,
		FArray2_double &	coords,
		Size	n_res,
		std::string
	)