removes positions at which the bfactors for c-alpha atoms are above a desired cutoff. bfactors stored in the pose pdbinfo are taken. if relative bfactors are used, all bfactors are divided by the largest observed bfactor More...

#include <MatchPositionModifiers.hh>

Inheritance diagram for protocols::match::BfactorMPM:

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Collaboration diagram for protocols::match::BfactorMPM:

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

	~BfactorMPM ()

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...

utility::vector1< core::Real >	get_ca_bfactors (core::pose::Pose const &pose) const

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

virtual	~MatchPositionModifier ()

Private Attributes
bool	use_relative_bfactors_

bool	all_bfactors_zero_

core::Real	max_bfactor_

Detailed Description

removes positions at which the bfactors for c-alpha atoms are above a desired cutoff. bfactors stored in the pose pdbinfo are taken. if relative bfactors are used, all bfactors are divided by the largest observed bfactor

Definition at line 139 of file MatchPositionModifiers.hh.

Constructor & Destructor Documentation

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

Definition at line 265 of file MatchPositionModifiers.cc.

References max_bfactor_, protocols::match::tr(), and use_relative_bfactors_.

protocols::match::BfactorMPM::~BfactorMPM ( )

Definition at line 284 of file MatchPositionModifiers.cc.

Member Function Documentation

utility::vector1< core::Real > protocols::match::BfactorMPM::get_ca_bfactors ( core::pose::Pose const & pose) const

Definition at line 312 of file MatchPositionModifiers.cc.

References all_bfactors_zero_, core::conformation::Residue::atom_index(), core::chemical::ResidueType::is_protein(), core::conformation::Residue::is_protein(), core::pose::Pose::pdb_info(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::pose::PDBInfo::temperature(), core::pose::Pose::total_residue(), and use_relative_bfactors_.

Referenced by modified_match_positions().

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