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Rosetta
2021.16
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Rosetta
2021.16
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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>
Public Member Functions | |
| BfactorMPM (utility::vector1< std::string > const &input_tokens) | |
| ~BfactorMPM () override | |
| 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 override |
| the positions in the vector1< core::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 () | |
| ~MatchPositionModifier () override | |
Private Attributes | |
| bool | use_relative_bfactors_ |
| bool | all_bfactors_zero_ |
| core::Real | max_bfactor_ |
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
| protocols::match::BfactorMPM::BfactorMPM | ( | utility::vector1< std::string > const & | input_tokens | ) |
References max_bfactor_, protocols::match::tr(), and use_relative_bfactors_.
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overridedefault |
| utility::vector1< core::Real > protocols::match::BfactorMPM::get_ca_bfactors | ( | core::pose::Pose const & | pose | ) | const |
References all_bfactors_zero_, core::conformation::Residue::atom_index(), core::chemical::ResidueTypeBase::is_protein(), core::conformation::Residue::is_protein(), core::pose::Pose::pdb_info(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::pose::Pose::size(), core::pose::PDBInfo::temperature(), and use_relative_bfactors_.
Referenced by modified_match_positions().
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overridevirtual |
the positions in the vector1< core::Size > that is returned by this function will replace the match positions in the MatcherTask.
Implements protocols::match::MatchPositionModifier.
References all_bfactors_zero_, get_ca_bfactors(), max_bfactor_, core::id::to_string(), and protocols::match::tr().
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mutableprivate |
Referenced by get_ca_bfactors(), and modified_match_positions().
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private |
Referenced by BfactorMPM(), and modified_match_positions().
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private |
Referenced by BfactorMPM(), and get_ca_bfactors().
1.8.7