| |
- builtins.object
-
- CS2ndShift
- CSTalosIO
- CandidatesCollector
-
- BoundedCollector_protocols_frag_picker_CompareTotalScore_t
-
- BoundedCollector_CompareTotalScore
- GrabAllCollector
- Contact
- ContactCounts
- ContactType
- FragmentCandidate
- FragmentComparatorBase
-
- CompareByScoreCombination
- CompareQueryPosition
- CompareScoreComponent
- CompareTotalScore
- FragmentPicker
- FragmentSelectingRule
-
- BestTotalScoreSelector
- CompositeFragmentSelector
- CustomScoreSelector
- DiversifyCrmsdByClustering
- DiversifyCrmsdSelector
- DiversifyDihedralsSelector
- JCouplingIO
- LAMBEGO_IO
- PhiPsiTalosIO
- SidechainContactDistCutoff
- TorsionBinIO
- VallChunk
- VallChunkFilter
-
- PdbIdChunkFilter
-
- AllowPdbIdFilter
- DenyPdbIdFilter
- VallProvider
- VallResidue
- rosetta.std.basic_ostringstream_char_std_char_traits_char_std_allocator_char_t(builtins.object)
-
- QuotaDebug
class BoundedCollector_CompareTotalScore(BoundedCollector_protocols_frag_picker_CompareTotalScore_t) |
| |
- Method resolution order:
- BoundedCollector_CompareTotalScore
- BoundedCollector_protocols_frag_picker_CompareTotalScore_t
- CandidatesCollector
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle, int, int, rosetta.protocols.frag_picker.CompareTotalScore, int) -> NoneType
doc
2. __init__(self : handle, query_size : int, max_frags_per_pos : int, fragment_comparator : rosetta.protocols.frag_picker.CompareTotalScore, n_score_terms : int, buffer_factor : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.BoundedCollector_CompareTotalScore, : rosetta.protocols.frag_picker.BoundedCollector_CompareTotalScore) -> rosetta.protocols.frag_picker.BoundedCollector_CompareTotalScore
Methods inherited from BoundedCollector_protocols_frag_picker_CompareTotalScore_t:
- add(...) from builtins.PyCapsule
- add(*args, **kwargs)
Overloaded function.
1. add(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, new_canditate : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap)) -> bool
2. add(self : rosetta.protocols.frag_picker.CandidatesCollector, : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap)) -> bool
Insert a fragment candidate to the container
- clear(...) from builtins.PyCapsule
- clear(*args, **kwargs)
Overloaded function.
1. clear(rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> NoneType
2. clear(rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
removes all candidates from the container
- count_candidates(...) from builtins.PyCapsule
- count_candidates(*args, **kwargs)
Overloaded function.
1. count_candidates(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, seq_pos : int) -> int
2. count_candidates(rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> int
3. count_candidates(self : rosetta.protocols.frag_picker.CandidatesCollector, : int) -> int
Check how many candidates have been already collected for a given position
4. count_candidates(rosetta.protocols.frag_picker.CandidatesCollector) -> int
Check how many candidates have been already collected for all positions
- get_candidates(...) from builtins.PyCapsule
- get_candidates(*args, **kwargs)
Overloaded function.
1. get_candidates(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, position_in_query : int) -> rosetta.utility.vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t
2. get_candidates(self : rosetta.protocols.frag_picker.CandidatesCollector, position_in_query : int) -> rosetta.utility.vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t
- insert(...) from builtins.PyCapsule
- insert(*args, **kwargs)
Overloaded function.
1. insert(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, pos : int, collector : rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
2. insert(self : rosetta.protocols.frag_picker.CandidatesCollector, : int, : rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
inserts candidates from another collector
Candidates may or may not get inserted depending on the candidate and type of storage
- query_length(...) from builtins.PyCapsule
- query_length(*args, **kwargs)
Overloaded function.
1. query_length(rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> int
2. query_length(rosetta.protocols.frag_picker.CandidatesCollector) -> int
Check the size of query sequence that this object knows.
This is mainly to be ale to check if it is the same as in the other parts of
fragment picking machinery.
|
class BoundedCollector_protocols_frag_picker_CompareTotalScore_t(CandidatesCollector) |
| |
- Method resolution order:
- BoundedCollector_protocols_frag_picker_CompareTotalScore_t
- CandidatesCollector
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle, int, int, rosetta.protocols.frag_picker.CompareTotalScore, int) -> NoneType
doc
2. __init__(self : handle, query_size : int, max_frags_per_pos : int, fragment_comparator : rosetta.protocols.frag_picker.CompareTotalScore, n_score_terms : int, buffer_factor : int) -> NoneType
3. __init__(handle, rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add(...) from builtins.PyCapsule
- add(*args, **kwargs)
Overloaded function.
1. add(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, new_canditate : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap)) -> bool
2. add(self : rosetta.protocols.frag_picker.CandidatesCollector, : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap)) -> bool
Insert a fragment candidate to the container
- assign(...) from builtins.PyCapsule
- assign(*args, **kwargs)
Overloaded function.
1. assign(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t
2. assign(self : rosetta.protocols.frag_picker.CandidatesCollector, : rosetta.protocols.frag_picker.CandidatesCollector) -> rosetta.protocols.frag_picker.CandidatesCollector
- clear(...) from builtins.PyCapsule
- clear(*args, **kwargs)
Overloaded function.
1. clear(rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> NoneType
2. clear(rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
removes all candidates from the container
- count_candidates(...) from builtins.PyCapsule
- count_candidates(*args, **kwargs)
Overloaded function.
1. count_candidates(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, seq_pos : int) -> int
2. count_candidates(rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> int
3. count_candidates(self : rosetta.protocols.frag_picker.CandidatesCollector, : int) -> int
Check how many candidates have been already collected for a given position
4. count_candidates(rosetta.protocols.frag_picker.CandidatesCollector) -> int
Check how many candidates have been already collected for all positions
- get_candidates(...) from builtins.PyCapsule
- get_candidates(*args, **kwargs)
Overloaded function.
1. get_candidates(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, position_in_query : int) -> rosetta.utility.vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t
2. get_candidates(self : rosetta.protocols.frag_picker.CandidatesCollector, position_in_query : int) -> rosetta.utility.vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t
- insert(...) from builtins.PyCapsule
- insert(*args, **kwargs)
Overloaded function.
1. insert(self : rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t, pos : int, collector : rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
2. insert(self : rosetta.protocols.frag_picker.CandidatesCollector, : int, : rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
inserts candidates from another collector
Candidates may or may not get inserted depending on the candidate and type of storage
- query_length(...) from builtins.PyCapsule
- query_length(*args, **kwargs)
Overloaded function.
1. query_length(rosetta.protocols.frag_picker.BoundedCollector_protocols_frag_picker_CompareTotalScore_t) -> int
2. query_length(rosetta.protocols.frag_picker.CandidatesCollector) -> int
Check the size of query sequence that this object knows.
This is mainly to be ale to check if it is the same as in the other parts of
fragment picking machinery.
|
class CSTalosIO(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.frag_picker.CSTalosIO) -> NoneType
2. __init__(self : rosetta.protocols.frag_picker.CSTalosIO, file_name : str) -> NoneType
3. __init__(self : rosetta.protocols.frag_picker.CSTalosIO, : rosetta.protocols.frag_picker.CSTalosIO) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.CSTalosIO, : rosetta.protocols.frag_picker.CSTalosIO) -> rosetta.protocols.frag_picker.CSTalosIO
- get_first_residue_id(...) from builtins.PyCapsule
- get_first_residue_id(rosetta.protocols.frag_picker.CSTalosIO) -> int
- get_last_residue_id(...) from builtins.PyCapsule
- get_last_residue_id(rosetta.protocols.frag_picker.CSTalosIO) -> int
- get_sequence(...) from builtins.PyCapsule
- get_sequence(rosetta.protocols.frag_picker.CSTalosIO) -> str
- get_shift(...) from builtins.PyCapsule
- get_shift(self : rosetta.protocols.frag_picker.CSTalosIO, : int, : str) -> float
- has_atom(...) from builtins.PyCapsule
- has_atom(self : rosetta.protocols.frag_picker.CSTalosIO, : int, : str) -> bool
- has_entry(...) from builtins.PyCapsule
- has_entry(self : rosetta.protocols.frag_picker.CSTalosIO, residue_id : int) -> bool
- read(...) from builtins.PyCapsule
- read(self : rosetta.protocols.frag_picker.CSTalosIO, : str) -> NoneType
- repack_to_matrix(...) from builtins.PyCapsule
- repack_to_matrix(rosetta.protocols.frag_picker.CSTalosIO) -> rosetta.utility.vector1_utility_vector1_std_pair_unsigned_long_double_std_allocator_std_pair_unsigned_long_double_t
|
class CandidatesCollector(builtins.object) |
|
TODO write collector for mixed fragment lengths
A base class for collecting fragments.
The purpose of a collector is to keep fragment candidates to the end
of vall processing. Then a selector will go through all the candidates stored
in a collector and select the final fragments
GrabAll collector for a possible implementation |
|
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add(...) from builtins.PyCapsule
- add(self : rosetta.protocols.frag_picker.CandidatesCollector, : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap)) -> bool
Insert a fragment candidate to the container
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.CandidatesCollector, : rosetta.protocols.frag_picker.CandidatesCollector) -> rosetta.protocols.frag_picker.CandidatesCollector
- clear(...) from builtins.PyCapsule
- clear(rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
removes all candidates from the container
- count_candidates(...) from builtins.PyCapsule
- count_candidates(*args, **kwargs)
Overloaded function.
1. count_candidates(self : rosetta.protocols.frag_picker.CandidatesCollector, : int) -> int
Check how many candidates have been already collected for a given position
2. count_candidates(rosetta.protocols.frag_picker.CandidatesCollector) -> int
Check how many candidates have been already collected for all positions
- get_candidates(...) from builtins.PyCapsule
- get_candidates(self : rosetta.protocols.frag_picker.CandidatesCollector, position_in_query : int) -> rosetta.utility.vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t
- insert(...) from builtins.PyCapsule
- insert(self : rosetta.protocols.frag_picker.CandidatesCollector, : int, : rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
inserts candidates from another collector
Candidates may or may not get inserted depending on the candidate and type of storage
- query_length(...) from builtins.PyCapsule
- query_length(rosetta.protocols.frag_picker.CandidatesCollector) -> int
Check the size of query sequence that this object knows.
This is mainly to be ale to check if it is the same as in the other parts of
fragment picking machinery.
|
class CompareByScoreCombination(FragmentComparatorBase) |
|
comparator based on the linear combination of some score components
returns true if first pair has lower weighted score than the second one |
|
- Method resolution order:
- CompareByScoreCombination
- FragmentComparatorBase
- builtins.object
Methods defined here:
- __call__(...) from builtins.PyCapsule
- __call__(self : rosetta.protocols.frag_picker.CompareByScoreCombination, first_candidate : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap), second_candidate : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap)) -> bool
compares two fragment candidates
returns true if second pair has greater total score than the first one.
Using this comparator to sort fragment candidates order them descending according
to their total score
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, which_components : rosetta.utility.vector1_unsigned_long, weights : rosetta.utility.vector1_double) -> NoneType
2. __init__(handle, rosetta.protocols.frag_picker.CompareByScoreCombination) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.CompareByScoreCombination, : rosetta.protocols.frag_picker.CompareByScoreCombination) -> rosetta.protocols.frag_picker.CompareByScoreCombination
|
class FragmentCandidate(builtins.object) |
|
Vector candidate says which X-mer from vall fits to a query sequence
Scores for a given fragment are stored separately in a FragmentScoreMap object
Therefore fragment containers hold std::pair<FragmentCandidateOP,FragmentScoreMapOP> |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.protocols.frag_picker.FragmentCandidate, queryPosition : int, inChunkPosition : int, chunk : rosetta.protocols.frag_picker.VallChunk, fragmentLength : int) -> NoneType
2. __init__(self : rosetta.protocols.frag_picker.FragmentCandidate, : rosetta.protocols.frag_picker.FragmentCandidate) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.frag_picker.FragmentCandidate) -> str
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.FragmentCandidate, : rosetta.protocols.frag_picker.FragmentCandidate) -> rosetta.protocols.frag_picker.FragmentCandidate
- get_chain_id(...) from builtins.PyCapsule
- get_chain_id(rosetta.protocols.frag_picker.FragmentCandidate) -> str
returns a chain id of a protein from which the fragment has been extracted
- get_chunk(...) from builtins.PyCapsule
- get_chunk(rosetta.protocols.frag_picker.FragmentCandidate) -> rosetta.protocols.frag_picker.VallChunk
returns a pointer to the original chunk from vall the fragment comes from
- get_first_index_in_query(...) from builtins.PyCapsule
- get_first_index_in_query(rosetta.protocols.frag_picker.FragmentCandidate) -> int
returns the index of a very first residue in a query sequence that is covered by this fragment
- get_first_index_in_vall(...) from builtins.PyCapsule
- get_first_index_in_vall(rosetta.protocols.frag_picker.FragmentCandidate) -> int
returns the index of a very first residue in a Vall chunk that is covered by this fragment
- get_frag_data(...) from builtins.PyCapsule
- get_frag_data(rosetta.protocols.frag_picker.FragmentCandidate) -> rosetta.core.fragment.FragData
- get_length(...) from builtins.PyCapsule
- get_length(rosetta.protocols.frag_picker.FragmentCandidate) -> int
returns the length of this fragment
- get_middle_residue(...) from builtins.PyCapsule
- get_middle_residue(rosetta.protocols.frag_picker.FragmentCandidate) -> rosetta.protocols.frag_picker.VallResidue
returns the middle residue of this fragment candidate
- get_middle_ss(...) from builtins.PyCapsule
- get_middle_ss(rosetta.protocols.frag_picker.FragmentCandidate) -> str
returns secondary structure assigned to the middle residue of this fragment candidate
secondary structure of the middle residue of this fragment, as extracted from Vall data
- get_pdb_id(...) from builtins.PyCapsule
- get_pdb_id(rosetta.protocols.frag_picker.FragmentCandidate) -> str
returns a PDB id of a protein from which the fragment has been extracted
- get_pool_name(...) from builtins.PyCapsule
- get_pool_name(rosetta.protocols.frag_picker.FragmentCandidate) -> str
- get_query_middle_res_id(...) from builtins.PyCapsule
- get_query_middle_res_id(rosetta.protocols.frag_picker.FragmentCandidate) -> int
returns a query index of a middle residue in this fragment
a position of the middle residue of this fragment in the query sequence
- get_residue(...) from builtins.PyCapsule
- get_residue(self : rosetta.protocols.frag_picker.FragmentCandidate, whichOne : int) -> rosetta.protocols.frag_picker.VallResidue
returns a given residue from this fragment
the irgument is in the range [1,fragmentLength]
- get_vall_middle_res_id(...) from builtins.PyCapsule
- get_vall_middle_res_id(rosetta.protocols.frag_picker.FragmentCandidate) -> int
returns a vall index of a middle residue in this fragment
a position of the middle residue of this fragment in the vall sequence
- key(...) from builtins.PyCapsule
- key(rosetta.protocols.frag_picker.FragmentCandidate) -> int
returns an integer key identifying a fragment
- output_silent(...) from builtins.PyCapsule
- output_silent(self : rosetta.protocols.frag_picker.FragmentCandidate, sfd : rosetta.core.io.silent.SilentFileData, sequence : str, silent_file_name : str, tag : str, sc : rosetta.protocols.frag_picker.scores.FragmentScoreMap, ms : rosetta.protocols.frag_picker.scores.FragmentScoreManager) -> NoneType
Prints fragment to silent struct
- same_chain(...) from builtins.PyCapsule
- same_chain(self : rosetta.protocols.frag_picker.FragmentCandidate, fr : rosetta.protocols.frag_picker.FragmentCandidate) -> bool
- sequence(...) from builtins.PyCapsule
- sequence(rosetta.protocols.frag_picker.FragmentCandidate) -> str
creates a new string object that contains a sequence of this fragment
- set_pool_name(...) from builtins.PyCapsule
- set_pool_name(self : rosetta.protocols.frag_picker.FragmentCandidate, pool_name : str) -> NoneType
|
class FragmentPicker(builtins.object) |
|
The core of the fragment picking machinery
FragmentPicker class does:
- know about query data: sequence, sequence profile, secondary structure.
All other query data must be loaded directly to the relevant scoring methods
- provide slots for 'plugable' parts of the machinery, like chunk filters, scoring methods and so on.
- pick fragments |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
2. __init__(self : rosetta.protocols.frag_picker.FragmentPicker, fragment_score_manager_type : str) -> NoneType
3. __init__(self : rosetta.protocols.frag_picker.FragmentPicker, : rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_chunk_filter(...) from builtins.PyCapsule
- add_chunk_filter(self : rosetta.protocols.frag_picker.FragmentPicker, filter : rosetta.protocols.frag_picker.VallChunkFilter) -> NoneType
adds a chunk filter that will be used to screen chunks before they are cut into fragments
- add_query_ss(...) from builtins.PyCapsule
- add_query_ss(self : rosetta.protocols.frag_picker.FragmentPicker, : str, : str) -> NoneType
Sets the query secondary structure
- add_scoring_method(...) from builtins.PyCapsule
- add_scoring_method(*args, **kwargs)
Overloaded function.
1. add_scoring_method(self : rosetta.protocols.frag_picker.FragmentPicker, scoring_term : rosetta.protocols.frag_picker.scores.FragmentScoringMethod, weight : float) -> NoneType
adds a new scoring method to the scoring scheme
2. add_scoring_method(self : rosetta.protocols.frag_picker.FragmentPicker, scoring_term : rosetta.protocols.frag_picker.scores.FragmentScoringMethod, weight : float, index : int) -> NoneType
adds a new scoring method to the scoring scheme
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.FragmentPicker, : rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.protocols.frag_picker.FragmentPicker
- bounded_protocol(...) from builtins.PyCapsule
- bounded_protocol(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
Picks fragments and saves them into proper files - uses bounded queue.
This protocol scores all vall data against all query positions
and keeps a limited number of candidates per position using a bounded queue.
When all candidates for all positions are scored, it selects final fragments.
- count_query_ss(...) from builtins.PyCapsule
- count_query_ss(rosetta.protocols.frag_picker.FragmentPicker) -> int
Sets the query secondary structure
- fragment_contacts(...) from builtins.PyCapsule
- fragment_contacts(self : rosetta.protocols.frag_picker.FragmentPicker, fragment_size : int, fragment_set : rosetta.utility.vector1_utility_vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_std_allocator_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t) -> NoneType
- get_candidates_collector(...) from builtins.PyCapsule
- get_candidates_collector(*args, **kwargs)
Overloaded function.
1. get_candidates_collector(self : rosetta.protocols.frag_picker.FragmentPicker, frag_size : int) -> rosetta.protocols.frag_picker.CandidatesCollector
returns a pointer to the candidates collector currently used
one may need this instance to access the candidates that have been found by the picker
2. get_candidates_collector(self : rosetta.protocols.frag_picker.FragmentPicker, frag_size : int, index : int) -> rosetta.protocols.frag_picker.CandidatesCollector
returns a pointer to the candidates collector currently used
one may need this instance to access the candidates that have been found by the picker
- get_query_phi_prediction(...) from builtins.PyCapsule
- get_query_phi_prediction(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.utility.vector1_double
Returns the phi prediction
- get_query_phi_prediction_conf(...) from builtins.PyCapsule
- get_query_phi_prediction_conf(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.utility.vector1_double
Returns the phi prediction confidence
- get_query_psi_prediction(...) from builtins.PyCapsule
- get_query_psi_prediction(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.utility.vector1_double
Returns the psi prediction
- get_query_psi_prediction_conf(...) from builtins.PyCapsule
- get_query_psi_prediction_conf(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.utility.vector1_double
Returns the psi prediction confidence
- get_query_residue_depth(...) from builtins.PyCapsule
- get_query_residue_depth(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.utility.vector1_double
Returns residue depth values
- get_query_sa_prediction(...) from builtins.PyCapsule
- get_query_sa_prediction(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.utility.vector1_double
Returns the solvent accessibility prediction
- get_query_seq(...) from builtins.PyCapsule
- get_query_seq(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.core.sequence.SequenceProfile
- get_query_seq_string(...) from builtins.PyCapsule
- get_query_seq_string(rosetta.protocols.frag_picker.FragmentPicker) -> str
Returns the sequence we are picking fragments for (as a string)
- get_query_ss(...) from builtins.PyCapsule
- get_query_ss(self : rosetta.protocols.frag_picker.FragmentPicker, prediction_name : str) -> rosetta.core.fragment.SecondaryStructure
Returns the query secondary structure as a SecondaryStructure object
- get_query_ss_string(...) from builtins.PyCapsule
- get_query_ss_string(self : rosetta.protocols.frag_picker.FragmentPicker, prediction_name : str) -> str
Returns the query secondary structure as a string
- get_score_manager(...) from builtins.PyCapsule
- get_score_manager(*args, **kwargs)
Overloaded function.
1. get_score_manager(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.protocols.frag_picker.scores.FragmentScoreManager
returns a pointer to a scoring manager
2. get_score_manager(self : rosetta.protocols.frag_picker.FragmentPicker, index : int) -> rosetta.protocols.frag_picker.scores.FragmentScoreManager
returns a pointer to a scoring manager
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.protocols.frag_picker.FragmentPicker
2. get_self_ptr(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.protocols.frag_picker.FragmentPicker
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.std.weak_ptr_const_protocols_frag_picker_FragmentPicker_t
2. get_self_weak_ptr(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.std.weak_ptr_protocols_frag_picker_FragmentPicker_t
- get_vall(...) from builtins.PyCapsule
- get_vall(rosetta.protocols.frag_picker.FragmentPicker) -> rosetta.protocols.frag_picker.VallProvider
a pointer to Vall provider
- is_valid_chunk(...) from builtins.PyCapsule
- is_valid_chunk(*args, **kwargs)
Overloaded function.
1. is_valid_chunk(self : rosetta.protocols.frag_picker.FragmentPicker, chunk : rosetta.protocols.frag_picker.VallChunk) -> bool
2. is_valid_chunk(self : rosetta.protocols.frag_picker.FragmentPicker, frag_len : int, chunk : rosetta.protocols.frag_picker.VallChunk) -> bool
- keep_all_protocol(...) from builtins.PyCapsule
- keep_all_protocol(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
Picks fragments and saves them into proper files - independently for each query position.
This protocol scores all vall data against a given position
and keeps all the candidates unless they fail an energy filter
When all candidates for a positions are scored, it selects fragments
for the position and proceeds to the next position. Bounded queue is not used
- max_frag_len(...) from builtins.PyCapsule
- max_frag_len(rosetta.protocols.frag_picker.FragmentPicker) -> int
How long is the longest fragment?
- nonlocal_pairs(...) from builtins.PyCapsule
- nonlocal_pairs(self : rosetta.protocols.frag_picker.FragmentPicker, fragment_size : int, fragment_set : rosetta.utility.vector1_utility_vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_std_allocator_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t) -> NoneType
- output_fragments(...) from builtins.PyCapsule
- output_fragments(self : rosetta.protocols.frag_picker.FragmentPicker, fragment_size : int, final_fragments : rosetta.utility.vector1_utility_vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_std_allocator_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t) -> NoneType
- parse_command_line(...) from builtins.PyCapsule
- parse_command_line(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- parse_quota_command_line(...) from builtins.PyCapsule
- parse_quota_command_line(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- pick_candidates(...) from builtins.PyCapsule
- pick_candidates(*args, **kwargs)
Overloaded function.
1. pick_candidates(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
2. pick_candidates(self : rosetta.protocols.frag_picker.FragmentPicker, i_pos : int, frag_len : int) -> NoneType
- pick_chunk_candidates(...) from builtins.PyCapsule
- pick_chunk_candidates(self : rosetta.protocols.frag_picker.FragmentPicker, chunks : rosetta.utility.vector1_std_shared_ptr_protocols_frag_picker_VallChunk_t, index : int) -> NoneType
multi-threaded task
- quota_protocol(...) from builtins.PyCapsule
- quota_protocol(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- read_depth(...) from builtins.PyCapsule
- read_depth(self : rosetta.protocols.frag_picker.FragmentPicker, file_name : str) -> NoneType
Reads DEPTH residue depth values
- read_psipred_ss2(...) from builtins.PyCapsule
- read_psipred_ss2(self : rosetta.protocols.frag_picker.FragmentPicker, : str, : str) -> NoneType
Reads query secondary structure prediction from a PsiPred file
- read_spine_x(...) from builtins.PyCapsule
- read_spine_x(self : rosetta.protocols.frag_picker.FragmentPicker, file_name : str) -> NoneType
Reads spine-x phi, psi, and solvent accessibility predictions
- read_ss_file(...) from builtins.PyCapsule
- read_ss_file(self : rosetta.protocols.frag_picker.FragmentPicker, : str, : str) -> NoneType
Identifies if the ss file is psipred or talos, calls appropriate reader
- read_ss_files(...) from builtins.PyCapsule
- read_ss_files(self : rosetta.protocols.frag_picker.FragmentPicker, sec_str_input : rosetta.utility.vector1_std_string) -> NoneType
Reads a bunch of ss predicitons from files and plugs them into the picker
- read_talos_ss(...) from builtins.PyCapsule
- read_talos_ss(self : rosetta.protocols.frag_picker.FragmentPicker, : str, : str) -> NoneType
Reads query secondary structure prediction from a Talos+ file
- read_vall(...) from builtins.PyCapsule
- read_vall(*args, **kwargs)
Overloaded function.
1. read_vall(self : rosetta.protocols.frag_picker.FragmentPicker, fn : str) -> NoneType
reads a vall file
2. read_vall(self : rosetta.protocols.frag_picker.FragmentPicker, fns : rosetta.utility.vector1_std_string) -> NoneType
- save_candidates(...) from builtins.PyCapsule
- save_candidates(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- save_fragments(...) from builtins.PyCapsule
- save_fragments(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- set_candidates_collector(...) from builtins.PyCapsule
- set_candidates_collector(*args, **kwargs)
Overloaded function.
1. set_candidates_collector(self : rosetta.protocols.frag_picker.FragmentPicker, frag_size : int, sink : rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
sets a collector where fragment candidates will be kept until final selection
2. set_candidates_collector(self : rosetta.protocols.frag_picker.FragmentPicker, frag_size : int, sink : rosetta.protocols.frag_picker.CandidatesCollector, index : int) -> NoneType
sets a collector where fragment candidates will be kept until final selection
- set_picked_positions(...) from builtins.PyCapsule
- set_picked_positions(*args, **kwargs)
Overloaded function.
1. set_picked_positions(self : rosetta.protocols.frag_picker.FragmentPicker, : int, : int) -> NoneType
Asks the picker to pick fragments from a given range in a query sequence
2. set_picked_positions(self : rosetta.protocols.frag_picker.FragmentPicker, : rosetta.utility.vector1_unsigned_long) -> NoneType
Asks the picker to pick fragments for given positions in a query sequence
- set_query_profile(...) from builtins.PyCapsule
- set_query_profile(self : rosetta.protocols.frag_picker.FragmentPicker, profile : rosetta.core.sequence.SequenceProfile) -> NoneType
Sets the sequence object we are picking fragments for
- set_query_seq(...) from builtins.PyCapsule
- set_query_seq(*args, **kwargs)
Overloaded function.
1. set_query_seq(self : rosetta.protocols.frag_picker.FragmentPicker, query_sequence : rosetta.core.sequence.SequenceProfile) -> NoneType
sets the query sequence
Well, it is a sequence profile, but the sequence can be extracted from it
2. set_query_seq(self : rosetta.protocols.frag_picker.FragmentPicker, query_sequence : str) -> NoneType
sets the query sequence
- set_up_quota_nnmake_style(...) from builtins.PyCapsule
- set_up_quota_nnmake_style(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- set_up_ss_abego_quota(...) from builtins.PyCapsule
- set_up_ss_abego_quota(rosetta.protocols.frag_picker.FragmentPicker) -> NoneType
- set_vall(...) from builtins.PyCapsule
- set_vall(self : rosetta.protocols.frag_picker.FragmentPicker, vall_chunks : rosetta.protocols.frag_picker.VallProvider) -> NoneType
sets vall data
- size_of_query(...) from builtins.PyCapsule
- size_of_query(rosetta.protocols.frag_picker.FragmentPicker) -> int
- total_score(...) from builtins.PyCapsule
- total_score(*args, **kwargs)
Overloaded function.
1. total_score(self : rosetta.protocols.frag_picker.FragmentPicker, f : rosetta.protocols.frag_picker.scores.FragmentScoreMap) -> float
Calculates total score for a given vector of small scores
(FragmentScoreMap object pointer)
FragmentScoreManager that is stored inside the picker is used
for this calculation. It particular it provides weights
2. total_score(self : rosetta.protocols.frag_picker.FragmentPicker, f : rosetta.protocols.frag_picker.scores.FragmentScoreMap, index : int) -> float
Calculates total score for a given vector of small scores
(FragmentScoreMap object pointer)
FragmentScoreManager that is stored inside the picker is used
for this calculation. It particular it provides weights
Data descriptors defined here:
- frag_sizes_
- n_candidates_
- n_frags_
- prefix_
- selector_
|
class GrabAllCollector(CandidatesCollector) |
|
Keeps all fragments candidates for the final selection
The purpose of a collector is to keep fragment candidates to the end
of vall processing. This simple implementation keeps all candidates which might
use huge memory |
|
- Method resolution order:
- GrabAllCollector
- CandidatesCollector
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, query_size : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add(...) from builtins.PyCapsule
- add(self : rosetta.protocols.frag_picker.GrabAllCollector, new_canditate : (rosetta.protocols.frag_picker.FragmentCandidate, rosetta.protocols.frag_picker.scores.FragmentScoreMap)) -> bool
Insert a fragment candidate to the container
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.GrabAllCollector, : rosetta.protocols.frag_picker.GrabAllCollector) -> rosetta.protocols.frag_picker.GrabAllCollector
- clear(...) from builtins.PyCapsule
- clear(rosetta.protocols.frag_picker.GrabAllCollector) -> NoneType
- count_candidates(...) from builtins.PyCapsule
- count_candidates(*args, **kwargs)
Overloaded function.
1. count_candidates(self : rosetta.protocols.frag_picker.GrabAllCollector, seq_pos : int) -> int
Check how many candidates have been already collected for a given position
2. count_candidates(rosetta.protocols.frag_picker.GrabAllCollector) -> int
Check how many candidates have been already collected for all positions
- get_candidates(...) from builtins.PyCapsule
- get_candidates(self : rosetta.protocols.frag_picker.GrabAllCollector, position_in_query : int) -> rosetta.utility.vector1_std_pair_std_shared_ptr_protocols_frag_picker_FragmentCandidate_std_shared_ptr_protocols_frag_picker_scores_FragmentScoreMap_t
returns all stored fragment candidates that begins at a given position in a query
- insert(...) from builtins.PyCapsule
- insert(self : rosetta.protocols.frag_picker.GrabAllCollector, pos : int, collector : rosetta.protocols.frag_picker.CandidatesCollector) -> NoneType
Inserts candidates from another Collector for a give position in the query
- query_length(...) from builtins.PyCapsule
- query_length(rosetta.protocols.frag_picker.GrabAllCollector) -> int
Check the size of query sequence that this object knows.
This is mainly to be able to check if it is the same as in the other parts of
fragment picking machinery.
|
class PhiPsiTalosIO(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.frag_picker.PhiPsiTalosIO) -> NoneType
2. __init__(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, file_name : str) -> NoneType
3. __init__(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, : rosetta.protocols.frag_picker.PhiPsiTalosIO) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, : rosetta.protocols.frag_picker.PhiPsiTalosIO) -> rosetta.protocols.frag_picker.PhiPsiTalosIO
- d_phi(...) from builtins.PyCapsule
- d_phi(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, res_id : int) -> float
- d_psi(...) from builtins.PyCapsule
- d_psi(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, res_id : int) -> float
- dist(...) from builtins.PyCapsule
- dist(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, res_id : int) -> float
- get_first_residue_id(...) from builtins.PyCapsule
- get_first_residue_id(rosetta.protocols.frag_picker.PhiPsiTalosIO) -> int
- get_last_residue_id(...) from builtins.PyCapsule
- get_last_residue_id(rosetta.protocols.frag_picker.PhiPsiTalosIO) -> int
- get_sequence(...) from builtins.PyCapsule
- get_sequence(rosetta.protocols.frag_picker.PhiPsiTalosIO) -> str
- has_entry(...) from builtins.PyCapsule
- has_entry(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, residue_id : int) -> bool
- phi(...) from builtins.PyCapsule
- phi(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, res_id : int) -> float
- psi(...) from builtins.PyCapsule
- psi(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, res_id : int) -> float
- quality(...) from builtins.PyCapsule
- quality(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, res_id : int) -> str
- read(...) from builtins.PyCapsule
- read(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, : str) -> NoneType
- s2(...) from builtins.PyCapsule
- s2(self : rosetta.protocols.frag_picker.PhiPsiTalosIO, res_id : int) -> float
|
class QuotaDebug(rosetta.std.basic_ostringstream_char_std_char_traits_char_std_allocator_char_t) |
| |
- Method resolution order:
- QuotaDebug
- rosetta.std.basic_ostringstream_char_std_char_traits_char_std_allocator_char_t
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : rosetta.protocols.frag_picker.QuotaDebug, nFrags : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- log(...) from builtins.PyCapsule
- log(self : rosetta.protocols.frag_picker.QuotaDebug, : int, : int, : rosetta.utility.vector1_double) -> NoneType
- max_pools(...) from builtins.PyCapsule
- max_pools(rosetta.protocols.frag_picker.QuotaDebug) -> int
- setup_summary(...) from builtins.PyCapsule
- setup_summary(self : rosetta.protocols.frag_picker.QuotaDebug, collector_ : protocols::frag_picker::quota::QuotaCollector) -> NoneType
- write_summary(...) from builtins.PyCapsule
- write_summary(rosetta.protocols.frag_picker.QuotaDebug) -> NoneType
Data descriptors defined here:
- nFrags_
- tag_map_
- tags_
Methods inherited from rosetta.std.basic_ostringstream_char_std_char_traits_char_std_allocator_char_t:
- rdbuf(...) from builtins.PyCapsule
- rdbuf(rosetta.std.basic_ostringstream_char_std_char_traits_char_std_allocator_char_t) -> std::basic_stringbuf<char, std::char_traits<char>, std::allocator<char> >
- str(...) from builtins.PyCapsule
- str(*args, **kwargs)
Overloaded function.
1. str(rosetta.std.basic_ostringstream_char_std_char_traits_char_std_allocator_char_t) -> str
2. str(self : rosetta.std.basic_ostringstream_char_std_char_traits_char_std_allocator_char_t, __s : str) -> NoneType
|
class VallChunk(builtins.object) |
|
represents a chunk of residues extracted from a vall.
VallChunk contains a vector of VallResidue objects and provides a basic ways to access them |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.protocols.frag_picker.VallChunk, provider : rosetta.std.weak_ptr_protocols_frag_picker_VallProvider_t) -> NoneType
2. __init__(self : rosetta.protocols.frag_picker.VallChunk, : rosetta.protocols.frag_picker.VallChunk) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.VallChunk, : rosetta.protocols.frag_picker.VallChunk) -> rosetta.protocols.frag_picker.VallChunk
- at(...) from builtins.PyCapsule
- at(self : rosetta.protocols.frag_picker.VallChunk, index : int) -> rosetta.protocols.frag_picker.VallResidue
returns i-th residue form this chunk. The first residue has index 1
- chunk_key(...) from builtins.PyCapsule
- chunk_key(rosetta.protocols.frag_picker.VallChunk) -> str
returns a string that is unique for each chunk in vall
- get_chain_id(...) from builtins.PyCapsule
- get_chain_id(rosetta.protocols.frag_picker.VallChunk) -> str
returns protein chain ID
- get_pdb_id(...) from builtins.PyCapsule
- get_pdb_id(rosetta.protocols.frag_picker.VallChunk) -> str
returns a PDB id (a string of four letters, e.g. "4mba")
- get_pose(...) from builtins.PyCapsule
- get_pose(rosetta.protocols.frag_picker.VallChunk) -> rosetta.core.pose.Pose
returns a pose created for this chunk
the pose object is created when this function is called for the first time
and then cached within a VallProvider object
Every time this method is called for a new chunk, VallProvider caches new data
- get_profile(...) from builtins.PyCapsule
- get_profile(rosetta.protocols.frag_picker.VallChunk) -> rosetta.core.sequence.SequenceProfile
returns amino acid profile of this chunk
the profile object is created when this function is called for the first time
and then cached within a VallProvider object.
Every time this method is called for a new chunk, VallProvider caches new data
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.frag_picker.VallChunk) -> rosetta.protocols.frag_picker.VallChunk
2. get_self_ptr(rosetta.protocols.frag_picker.VallChunk) -> rosetta.protocols.frag_picker.VallChunk
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.frag_picker.VallChunk) -> rosetta.std.weak_ptr_const_protocols_frag_picker_VallChunk_t
2. get_self_weak_ptr(rosetta.protocols.frag_picker.VallChunk) -> rosetta.std.weak_ptr_protocols_frag_picker_VallChunk_t
- get_sequence(...) from builtins.PyCapsule
- get_sequence(rosetta.protocols.frag_picker.VallChunk) -> str
returns amino acid sequence of this chunk
- get_vall_filename(...) from builtins.PyCapsule
- get_vall_filename(rosetta.protocols.frag_picker.VallChunk) -> str
returns the Vall file used for this chunk
- get_vall_provider(...) from builtins.PyCapsule
- get_vall_provider(rosetta.protocols.frag_picker.VallChunk) -> protocols::frag_picker::VallProvider
returns the Vall Provider
- key(...) from builtins.PyCapsule
- key(rosetta.protocols.frag_picker.VallChunk) -> int
returns integer key of this chunk, which is the key of this chunk's first residue
- push_back(...) from builtins.PyCapsule
- push_back(self : rosetta.protocols.frag_picker.VallChunk, what : rosetta.protocols.frag_picker.VallResidue) -> NoneType
appends a residue to this chunk
- size(...) from builtins.PyCapsule
- size(rosetta.protocols.frag_picker.VallChunk) -> int
returns the size of this chunk i.e. the number of residues stored in there
- vall_key(...) from builtins.PyCapsule
- vall_key(*args, **kwargs)
Overloaded function.
1. vall_key(rosetta.protocols.frag_picker.VallChunk) -> int
2. vall_key(self : rosetta.protocols.frag_picker.VallChunk, key : int) -> NoneType
|
class VallProvider(builtins.object) |
|
a vector of vall chunks |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.frag_picker.VallProvider) -> NoneType
2. __init__(self : rosetta.protocols.frag_picker.VallProvider, : rosetta.protocols.frag_picker.VallProvider) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.VallProvider, : rosetta.protocols.frag_picker.VallProvider) -> rosetta.protocols.frag_picker.VallProvider
- at(...) from builtins.PyCapsule
- at(self : rosetta.protocols.frag_picker.VallProvider, index : int) -> rosetta.protocols.frag_picker.VallChunk
returns a certain chunk (starts from 1)
- cache_pose(...) from builtins.PyCapsule
- cache_pose(self : rosetta.protocols.frag_picker.VallProvider, source_chunk : rosetta.protocols.frag_picker.VallChunk) -> rosetta.core.pose.Pose
cache a pose for a given chunk
- cache_profile(...) from builtins.PyCapsule
- cache_profile(self : rosetta.protocols.frag_picker.VallProvider, source_chunk : rosetta.protocols.frag_picker.VallChunk) -> rosetta.core.sequence.SequenceProfile
cache a sequence profile for a given chunk
- find_chunk(...) from builtins.PyCapsule
- find_chunk(self : rosetta.protocols.frag_picker.VallProvider, : str, : str, : int) -> rosetta.protocols.frag_picker.VallChunk
tries to find a chunk defined by PDB id, chain id and a residue
sequence id
If this VallProvider does not contain a desired
chunk, 0 is returned.
- get_largest_chunk_size(...) from builtins.PyCapsule
- get_largest_chunk_size(rosetta.protocols.frag_picker.VallProvider) -> int
says what is the length of the largest chunk known to this
provider
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.frag_picker.VallProvider) -> rosetta.protocols.frag_picker.VallProvider
2. get_self_ptr(rosetta.protocols.frag_picker.VallProvider) -> rosetta.protocols.frag_picker.VallProvider
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.frag_picker.VallProvider) -> rosetta.std.weak_ptr_const_protocols_frag_picker_VallProvider_t
2. get_self_weak_ptr(rosetta.protocols.frag_picker.VallProvider) -> rosetta.std.weak_ptr_protocols_frag_picker_VallProvider_t
- get_vall_by_key(...) from builtins.PyCapsule
- get_vall_by_key(self : rosetta.protocols.frag_picker.VallProvider, index : int) -> str
- get_vall_count(...) from builtins.PyCapsule
- get_vall_count(rosetta.protocols.frag_picker.VallProvider) -> int
- get_vall_end_line_by_key(...) from builtins.PyCapsule
- get_vall_end_line_by_key(self : rosetta.protocols.frag_picker.VallProvider, index : int) -> int
- get_vall_last_residue_key_by_key(...) from builtins.PyCapsule
- get_vall_last_residue_key_by_key(self : rosetta.protocols.frag_picker.VallProvider, index : int) -> int
- get_vall_start_line_by_key(...) from builtins.PyCapsule
- get_vall_start_line_by_key(self : rosetta.protocols.frag_picker.VallProvider, index : int) -> int
- push_back(...) from builtins.PyCapsule
- push_back(self : rosetta.protocols.frag_picker.VallProvider, what : rosetta.protocols.frag_picker.VallChunk) -> NoneType
adds a new chunk to this provider
- size(...) from builtins.PyCapsule
- size(rosetta.protocols.frag_picker.VallProvider) -> int
says how many chunks do we have
- vallChunksFromLibraries(...) from builtins.PyCapsule
- vallChunksFromLibraries(self : rosetta.protocols.frag_picker.VallProvider, fns : rosetta.utility.vector1_std_string) -> int
- vallChunksFromLibrary(...) from builtins.PyCapsule
- vallChunksFromLibrary(*args, **kwargs)
Overloaded function.
1. vallChunksFromLibrary(self : rosetta.protocols.frag_picker.VallProvider, filename : str) -> int
Vall reader
THe defaults should ensure that the file is fully read if startline and endline ar not specified. endline = 0 means read to the end.
2. vallChunksFromLibrary(self : rosetta.protocols.frag_picker.VallProvider, filename : str, startline : int) -> int
Vall reader
THe defaults should ensure that the file is fully read if startline and endline ar not specified. endline = 0 means read to the end.
3. vallChunksFromLibrary(self : rosetta.protocols.frag_picker.VallProvider, filename : str, startline : int, endline : int) -> int
Vall reader
THe defaults should ensure that the file is fully read if startline and endline ar not specified. endline = 0 means read to the end.
- vallNumLines(...) from builtins.PyCapsule
- vallNumLines(self : rosetta.protocols.frag_picker.VallProvider, filename : str) -> int
Runs through the Vall and stores number of lines
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class VallResidue(builtins.object) |
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class for managing a line of the Vall fragment library |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.frag_picker.VallResidue) -> NoneType
2. __init__(self : rosetta.protocols.frag_picker.VallResidue, line : str) -> NoneType
3. __init__(self : rosetta.protocols.frag_picker.VallResidue, rval : rosetta.protocols.frag_picker.VallResidue) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- aa(...) from builtins.PyCapsule
- aa(*args, **kwargs)
Overloaded function.
1. aa(rosetta.protocols.frag_picker.VallResidue) -> str
one letter amino acid code
2. aa(self : rosetta.protocols.frag_picker.VallResidue, c : str) -> NoneType
one letter amino acid code
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.frag_picker.VallResidue, rval : rosetta.protocols.frag_picker.VallResidue) -> rosetta.protocols.frag_picker.VallResidue
copy assignment
- bF(...) from builtins.PyCapsule
- bF(*args, **kwargs)
Overloaded function.
1. bF(rosetta.protocols.frag_picker.VallResidue) -> float
b factor average for backbone
2. bF(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
b factor average for backbone
- bbtorsion_srfd(...) from builtins.PyCapsule
- bbtorsion_srfd(rosetta.protocols.frag_picker.VallResidue) -> rosetta.core.fragment.BBTorsionSRFD
build a BBTorsionSRFD from this page
- cbx(...) from builtins.PyCapsule
- cbx(*args, **kwargs)
Overloaded function.
1. cbx(rosetta.protocols.frag_picker.VallResidue) -> float
x-coordinate of C-beta
2. cbx(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
x-coordinate of C-beta
- cby(...) from builtins.PyCapsule
- cby(*args, **kwargs)
Overloaded function.
1. cby(rosetta.protocols.frag_picker.VallResidue) -> float
y-coordinate of C-beta
2. cby(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
y-coordinate of C-beta
- cbz(...) from builtins.PyCapsule
- cbz(*args, **kwargs)
Overloaded function.
1. cbz(rosetta.protocols.frag_picker.VallResidue) -> float
z-coordinate of C-beta
2. cbz(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
z-coordinate of C-beta
- cenx(...) from builtins.PyCapsule
- cenx(*args, **kwargs)
Overloaded function.
1. cenx(rosetta.protocols.frag_picker.VallResidue) -> float
x-coordinate of centroid
2. cenx(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
x-coordinate of centroid
- ceny(...) from builtins.PyCapsule
- ceny(*args, **kwargs)
Overloaded function.
1. ceny(rosetta.protocols.frag_picker.VallResidue) -> float
y-coordinate of centroid
2. ceny(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
y-coordinate of centroid
- cenz(...) from builtins.PyCapsule
- cenz(*args, **kwargs)
Overloaded function.
1. cenz(rosetta.protocols.frag_picker.VallResidue) -> float
z-coordinate of centroid
2. cenz(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
z-coordinate of centroid
- depth(...) from builtins.PyCapsule
- depth(*args, **kwargs)
Overloaded function.
1. depth(rosetta.protocols.frag_picker.VallResidue) -> float
all-atom residue depth
2. depth(self : rosetta.protocols.frag_picker.VallResidue, depth : float) -> NoneType
all-atom residue depth
- distance_squared(...) from builtins.PyCapsule
- distance_squared(*args, **kwargs)
Overloaded function.
1. distance_squared(self : rosetta.protocols.frag_picker.VallResidue, r : rosetta.protocols.frag_picker.VallResidue) -> float
2. distance_squared(self : rosetta.protocols.frag_picker.VallResidue, r : rosetta.protocols.frag_picker.VallResidue, type : rosetta.protocols.frag_picker.ContactType) -> float
- distance_squared_cb(...) from builtins.PyCapsule
- distance_squared_cb(self : rosetta.protocols.frag_picker.VallResidue, r : rosetta.protocols.frag_picker.VallResidue) -> float
- distance_squared_cen(...) from builtins.PyCapsule
- distance_squared_cen(self : rosetta.protocols.frag_picker.VallResidue, r : rosetta.protocols.frag_picker.VallResidue) -> float
- dssp_phi(...) from builtins.PyCapsule
- dssp_phi(rosetta.protocols.frag_picker.VallResidue) -> float
phi backbone torsion in degrees from DSSP
- dssp_psi(...) from builtins.PyCapsule
- dssp_psi(rosetta.protocols.frag_picker.VallResidue) -> float
psi backbone torsion in degrees from DSSP
- fill_from_string(...) from builtins.PyCapsule
- fill_from_string(self : rosetta.protocols.frag_picker.VallResidue, line : str) -> NoneType
fill internal data from string
- fill_from_string_cs(...) from builtins.PyCapsule
- fill_from_string_cs(self : rosetta.protocols.frag_picker.VallResidue, line : str) -> NoneType
fill internal data from string
- fill_from_string_residue_depth_version1(...) from builtins.PyCapsule
- fill_from_string_residue_depth_version1(self : rosetta.protocols.frag_picker.VallResidue, line : str) -> NoneType
- fill_from_string_version1(...) from builtins.PyCapsule
- fill_from_string_version1(self : rosetta.protocols.frag_picker.VallResidue, line : str) -> NoneType
fill internal data from string
- has_chemical_shifts(...) from builtins.PyCapsule
- has_chemical_shifts(rosetta.protocols.frag_picker.VallResidue) -> bool
- has_profile(...) from builtins.PyCapsule
- has_profile(rosetta.protocols.frag_picker.VallResidue) -> bool
has profile info?
- has_profile_struct(...) from builtins.PyCapsule
- has_profile_struct(rosetta.protocols.frag_picker.VallResidue) -> bool
has structure profile info?
- id(...) from builtins.PyCapsule
- id(*args, **kwargs)
Overloaded function.
1. id(rosetta.protocols.frag_picker.VallResidue) -> str
id of fragment source (e.g. pdb name)
2. id(self : rosetta.protocols.frag_picker.VallResidue, s : str) -> NoneType
id of fragment source (e.g. pdb name)
- key(...) from builtins.PyCapsule
- key(*args, **kwargs)
Overloaded function.
1. key(self : rosetta.protocols.frag_picker.VallResidue, key : int) -> NoneType
sets the key id
2. key(rosetta.protocols.frag_picker.VallResidue) -> int
sets the key id
- nali(...) from builtins.PyCapsule
- nali(*args, **kwargs)
Overloaded function.
1. nali(rosetta.protocols.frag_picker.VallResidue) -> int
number of alignments
2. nali(self : rosetta.protocols.frag_picker.VallResidue, val : int) -> NoneType
number of alignments
- omega(...) from builtins.PyCapsule
- omega(*args, **kwargs)
Overloaded function.
1. omega(rosetta.protocols.frag_picker.VallResidue) -> float
omega backbone torsion in degrees
2. omega(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
omega backbone torsion in degrees
- phi(...) from builtins.PyCapsule
- phi(*args, **kwargs)
Overloaded function.
1. phi(rosetta.protocols.frag_picker.VallResidue) -> float
phi backbone torsion in degrees
2. phi(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
phi backbone torsion in degrees
- profile(...) from builtins.PyCapsule
- profile(*args, **kwargs)
Overloaded function.
1. profile(rosetta.protocols.frag_picker.VallResidue) -> rosetta.utility.vector1_double
per amino acid profile data
2. profile(self : rosetta.protocols.frag_picker.VallResidue, v : rosetta.utility.vector1_double) -> NoneType
per amino acid profile data
- profile_struct(...) from builtins.PyCapsule
- profile_struct(*args, **kwargs)
Overloaded function.
1. profile_struct(rosetta.protocols.frag_picker.VallResidue) -> rosetta.utility.vector1_double
per amino acid structure profile data
2. profile_struct(self : rosetta.protocols.frag_picker.VallResidue, v : rosetta.utility.vector1_double) -> NoneType
per amino acid structure profile data
- psi(...) from builtins.PyCapsule
- psi(*args, **kwargs)
Overloaded function.
1. psi(rosetta.protocols.frag_picker.VallResidue) -> float
psi backbone torsion in degrees
2. psi(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
psi backbone torsion in degrees
- resi(...) from builtins.PyCapsule
- resi(*args, **kwargs)
Overloaded function.
1. resi(rosetta.protocols.frag_picker.VallResidue) -> int
residue sequence number in source
2. resi(self : rosetta.protocols.frag_picker.VallResidue, i : int) -> NoneType
residue sequence number in source
- sa(...) from builtins.PyCapsule
- sa(*args, **kwargs)
Overloaded function.
1. sa(rosetta.protocols.frag_picker.VallResidue) -> float
solvent accessible area
2. sa(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
solvent accessible area
- sa_norm(...) from builtins.PyCapsule
- sa_norm(rosetta.protocols.frag_picker.VallResidue) -> float
solvent accessible area normalized
- secondary_shifts(...) from builtins.PyCapsule
- secondary_shifts(rosetta.protocols.frag_picker.VallResidue) -> rosetta.utility.vector1_double
secondary chemical shifts
- set_ss_from_str(...) from builtins.PyCapsule
- set_ss_from_str(rosetta.protocols.frag_picker.VallResidue) -> NoneType
- ss(...) from builtins.PyCapsule
- ss(*args, **kwargs)
Overloaded function.
1. ss(rosetta.protocols.frag_picker.VallResidue) -> str
one letter secondary structure code
2. ss(self : rosetta.protocols.frag_picker.VallResidue, c : str) -> NoneType
one letter secondary structure code
- ss_str(...) from builtins.PyCapsule
- ss_str(*args, **kwargs)
Overloaded function.
1. ss_str(rosetta.protocols.frag_picker.VallResidue) -> str
one letter secondary structure STR code
2. ss_str(self : rosetta.protocols.frag_picker.VallResidue, c : str) -> NoneType
one letter secondary structure STR code
- x(...) from builtins.PyCapsule
- x(*args, **kwargs)
Overloaded function.
1. x(rosetta.protocols.frag_picker.VallResidue) -> float
x-coordinate of C-alpha
2. x(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
x-coordinate of C-alpha
- y(...) from builtins.PyCapsule
- y(*args, **kwargs)
Overloaded function.
1. y(rosetta.protocols.frag_picker.VallResidue) -> float
y-coordinate of C-alpha
2. y(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
y-coordinate of C-alpha
- z(...) from builtins.PyCapsule
- z(*args, **kwargs)
Overloaded function.
1. z(rosetta.protocols.frag_picker.VallResidue) -> float
z-coordinate of C-alpha
2. z(self : rosetta.protocols.frag_picker.VallResidue, val : float) -> NoneType
z-coordinate of C-alpha
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