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protocols::match::NumNeighborsMPM Class Reference

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:
Inheritance graph
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Public Member Functions

 NumNeighborsMPM (utility::vector1< std::string > const &input_tokens)
 
 ~NumNeighborsMPM () override
 
utility::vector1< core::Sizemodified_match_positions (utility::vector1< core::Size > const &original_positions, core::pose::Pose const &match_pose, protocols::match::MatcherTaskCOP mtask) const override
 the positions in the vector1< core::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 ()
 
 ~MatchPositionModifier () override
 

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

Constructor & Destructor Documentation

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

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
overridevirtual
bool protocols::match::NumNeighborsMPM::passes_com_vector_criterion ( core::Size  seqpos,
core::pose::Pose const &  pose,
core::Vector const &  com 
) const

Member Data Documentation

bool protocols::match::NumNeighborsMPM::both_criteria_needed_to_pass_
private
bool protocols::match::NumNeighborsMPM::com_vector_criterion_
private
core::Real protocols::match::NumNeighborsMPM::max_com_vector_ang_cos_
private
core::Size protocols::match::NumNeighborsMPM::max_neighbors_
private
core::Real protocols::match::NumNeighborsMPM::min_com_vector_ang_cos_
private
core::Size protocols::match::NumNeighborsMPM::min_neighbors_
private

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