Rosetta 3.4
Public Member Functions
protocols::frag_picker::scores::RDCScore Class Reference

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

#include <RDCScore_Gront.hh>

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List of all members.

Public Member Functions

 RDCScore (Size, Real, bool)
 creates a RDC-based scoring function.
void do_caching (VallChunkOP)
 In this case caching means copying coordinates of relevant atoms from a chunk's pose.
void clean_up ()
 Erases the internal array of coordinates.
bool cached_score (FragmentCandidateOP, FragmentScoreMapOP)
bool score (FragmentCandidateOP, FragmentScoreMapOP)
 RDCScore (Size, Real, bool, Size)
 Prepare the scoring method.
void do_caching (VallChunkOP)
 In this case caching means copying coordinates of relevant atoms from a chunk's pose.
void clean_up ()
 Erases the internal array of coordinates.
bool score (FragmentCandidateOP, FragmentScoreMapOP)
 Evaluate the score.

Detailed Description

scores a fragment by its crmsd to the given reference structure

Calculates a score for a fragment based on RDC experimental data.


Constructor & Destructor Documentation

protocols::frag_picker::scores::RDCScore::RDCScore ( Size  priority,
Real  lowest_acceptable_value,
bool  use_lowest 
)

creates a RDC-based scoring function.

protocols::frag_picker::scores::RDCScore::RDCScore ( Size  priority,
Real  lowest_acceptable_value,
bool  use_lowest,
Size  query_size 
)

Prepare the scoring method.

Parameters:
priority- the priority for this scoring method. The lower the priority, the later the score will be evaluated Because a fragment may be discarded when a score is too low, the most accurate && meaningful scores should have the highest priority
lowest_acceptable_value- a fragment for which this score is below a certain threshold will be discarded
rdc_file_name- from this file RDC data will be obtained
query_size- the number of residues in the query sequence

Member Function Documentation

bool protocols::frag_picker::scores::RDCScore::cached_score ( FragmentCandidateOP  fragment,
FragmentScoreMapOP  empty_map 
) [virtual]
void protocols::frag_picker::scores::RDCScore::clean_up ( ) [virtual]

Erases the internal array of coordinates.

Reimplemented from protocols::frag_picker::scores::AtomBasedConstraintsScore.

void protocols::frag_picker::scores::RDCScore::clean_up ( ) [virtual]

Erases the internal array of coordinates.

Reimplemented from protocols::frag_picker::scores::AtomBasedConstraintsScore.

void protocols::frag_picker::scores::RDCScore::do_caching ( VallChunkOP  ) [virtual]

In this case caching means copying coordinates of relevant atoms from a chunk's pose.

Reimplemented from protocols::frag_picker::scores::AtomBasedConstraintsScore.

void protocols::frag_picker::scores::RDCScore::do_caching ( VallChunkOP  chunk) [virtual]

In this case caching means copying coordinates of relevant atoms from a chunk's pose.

Reimplemented from protocols::frag_picker::scores::AtomBasedConstraintsScore.

bool protocols::frag_picker::scores::RDCScore::score ( FragmentCandidateOP  ,
FragmentScoreMapOP   
) [virtual]

Evaluate the score.

Reimplemented from protocols::frag_picker::scores::CachingScoringMethod.

bool protocols::frag_picker::scores::RDCScore::score ( FragmentCandidateOP  fragment,
FragmentScoreMapOP  empty_map 
) [virtual]

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