removes positions whose numer of neighbors below a 10A cutoff is not within the desired range. if either min_neighbors_ or max_neighbors_ are unspecified (0), this means that they won't be taken into account, i.e. if min is 5 and max is 0, every position that has more than 4 neighbors will be allowed. also offers the possibility of combining the num neighbors cutoff with the angle between the CA->CB vector of the residue and the CA->protein_center_of_mass vector, for example to only allow positions that point inward More...

#include <MatchPositionModifiers.hh>

Inheritance diagram for protocols::match::NumNeighborsMPM:

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Collaboration diagram for protocols::match::NumNeighborsMPM:

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Public Member Functions
	NumNeighborsMPM (utility::vector1< std::string > const &input_tokens)

	~NumNeighborsMPM ()

virtual utility::vector1 < core::Size >	modified_match_positions (utility::vector1< core::Size > const &original_positions, core::pose::Pose const &match_pose, protocols::match::MatcherTaskCOP mtask) const
	the positions in the vector1< Size > that is returned by this function will replace the match positions in the MatcherTask. More...

bool	passes_com_vector_criterion (core::Size seqpos, core::pose::Pose const &pose, core::Vector const &com) const

Public Member Functions inherited from protocols::match::MatchPositionModifier
	MatchPositionModifier ()

virtual	~MatchPositionModifier ()

Private Attributes
core::Size	min_neighbors_

core::Size	max_neighbors_

bool	com_vector_criterion_

bool	both_criteria_needed_to_pass_

core::Real	min_com_vector_ang_cos_

core::Real	max_com_vector_ang_cos_

Detailed Description

removes positions whose numer of neighbors below a 10A cutoff is not within the desired range. if either min_neighbors_ or max_neighbors_ are unspecified (0), this means that they won't be taken into account, i.e. if min is 5 and max is 0, every position that has more than 4 neighbors will be allowed. also offers the possibility of combining the num neighbors cutoff with the angle between the CA->CB vector of the residue and the CA->protein_center_of_mass vector, for example to only allow positions that point inward

Definition at line 101 of file MatchPositionModifiers.hh.

Constructor & Destructor Documentation

protocols::match::NumNeighborsMPM::NumNeighborsMPM ( utility::vector1< std::string > const & input_tokens)

Definition at line 163 of file MatchPositionModifiers.cc.

References both_criteria_needed_to_pass_, com_vector_criterion_, max_com_vector_ang_cos_, max_neighbors_, min_com_vector_ang_cos_, min_neighbors_, and protocols::match::tr().

protocols::match::NumNeighborsMPM::~NumNeighborsMPM ( )

Definition at line 197 of file MatchPositionModifiers.cc.

Member Function Documentation

utility::vector1< core::Size > protocols::match::NumNeighborsMPM::modified_match_positions	(	utility::vector1< core::Size > const &	original_positions,
		core::pose::Pose const &	match_pose,
		protocols::match::MatcherTaskCOP	mtask
	)		const