Rosetta
|
Namespaces | |
slice_enums | |
Classes | |
class | AndResidueSelector |
The AndResidueSelector combines the output of multiple ResidueSelectors using AND logic, i.e., only residues selected by ALL contained ResidueSelectors will be selected. ResidueSelecters can be pulled in from a DataMap, from subtags (for ResidueSelectors known to the ResidueSelectorFactory) or programmatically through add_residue_selector. More... | |
class | AsymmetricUnitSelector |
A residue selector for selecting the master subunit in a symmetrical pose. If not symmetrical, will select the whole pose. More... | |
class | AsymmetricUnitSelectorCreator |
class | BFactorSelector |
A residue selector dependent on b-factor values. More... | |
class | BFactorSelectorCreator |
class | BinSelector |
A ResidueSelector that selects residues based on their torsion bin (e.g. ABEGO bin). More... | |
class | BlockSelector |
selectes a specified continuous block of previously selected residues More... | |
class | BlockSelectorCreator |
class | BondedResidueSelector |
The BondedResidueSelector selects residues that are connected to some set of residues (input_set) by a chemical bond. The input_set can be directly set using a set of residue positions or by a ResidueSelector. More... | |
class | CachedResidueSubset |
class | ChainSelector |
class | CloseContactResidueSelector |
A class that finds the neighboring residues for a particular residue by looking at atom-atom distances. More... | |
class | CloseContactResidueSelectorCreator |
class | ConfluentSelector |
selector that selects all the residues between those selected by another selector that are not interspersed with those selected by a third selector More... | |
class | ConfluentSelectorCreator |
class | DensityFitResidueSelector |
Selects residues that are considered 'error' region with respect to the density resolution. More... | |
class | FalseResidueSelector |
class | FractionSelector |
Selects only either the first or the last residue selected by a provided ResidueSelector. More... | |
class | FractionSelectorCreator |
class | GlycanLayerSelector |
A selector for choosing glycan residues based on their layer - as measured by the residue distance to the start of the glycan tree. If no layer is set, will select all glycan residues. More... | |
class | GlycanLayerSelectorCreator |
class | GlycanPositionSelector |
A Residue Selector for selecting specific parts of arbitrary glycans by 'position'. More... | |
class | GlycanResidueSelector |
A ResidueSelector for carbohydrates and individual carbohydrate trees. Selects all Glycan residues if no option is given or the branch going out from the root residue. Selecting from root residues allows you to choose the whole glycan branch or only tips, etc. More... | |
class | GlycanSequonsSelector |
Find glycosylation sequons in pose @detail Glycosylation sites are typically recognized by enzymes by means of a recognition sequence, or 'motif'. This ResidueSelector selects all residues that can be glycosylated using one of a few sequence motifs that are pre-defined and can be selected. For selecting residues in other motifs, use the ResidueInSequenceMotifSelctor, which takes regular expressions as input. More... | |
class | InterGroupInterfaceByVectorSelector |
The InterGroupInterfaceByVectorSelector identifies residues at the interface between two groups of residues using two distance cutoffs: the first, shorter cutoff is based on atom-atom distances, the second, longer cutoff is used if the c-alpha/c-beta vector of the residues in the first group point toward the c-alphas of the other group. Each group may be specified either explicitly through a std::set of residue indices, through a string of comma-separated values giving either residue indices or PDB ids (e.g. 13B for residue 13 on chain B) or through a ResidueSelector. Clears the passed ReisueSubset. More... | |
class | JumpDownstreamSelector |
The JumpDownstreamSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which lie downstream of a given jump in the FoldTree. The jump is specified by an integer index. More... | |
class | JumpUpstreamSelector |
The JumpUpstreamSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which lie upstream of a given jump in the FoldTree. The jump is specified by its integer index. More... | |
class | LayerSelector |
The LayerSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which match the given residue index. The index is read as comma-separated list of either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). Detection and mapping from PDB to Rosetta residue numbers is done internally. More... | |
class | LogicResidueSelector |
A residue selector that takes arbitrarily many residue selectors and performs and/or/not boolean logic within the "residue_selectors" option. More... | |
class | LogicResidueSelectorCreator |
class | NeighborhoodResidueSelector |
The NeighborhoodResidueSelector selects residues neighboring a defined set of residues (the focus). The focus residue set can be obtained from another ResidueSelector, from a set of positions. Focus is included in subset by default. Use include_focus_in_subset to change this! More... | |
class | NotResidueSelector |
The NotResidueSelector negates the input of one loaded ResidueSelector, i.e., it is a logical NOT - it selects all unselected residues and deselects the selected ones. True becomes false, false becomes true. The ResidueSelector to be negated can be pulled in through RosettaScipt using the selector option, subtags for ResidueSelectors known to the ResidueSelectorFactory or programmatically using set_residue_selector. Note that since most ResidueSelectors clear the input ResidueSubset, NOT can be thought of as simply selecting the opposite of the passed in selector. More... | |
class | NumNeighborsSelector |
class | OrResidueSelector |
The OrResidueSelector combines the output of multiple ResidueSelectors using OR logic, i.e., residues selected by ANY of the contained ResidueSelectors will be selected. ResidueSelecters can be pulled in from a DataMap, from subtags (for ResidueSelectors known to the ResidueSelectorFactory) or programmatically through add_residue_selector. More... | |
class | PhiSelector |
A ResidueSelector that selects alpha-amino acids that are either in the positive phi or negative phi region of Ramachandran space (depending on user preferences). More... | |
class | PrimarySequenceNeighborhoodSelector |
The PrimarySequenceNeighborhoodSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are located near the given selected residues in primary sequence space. More... | |
class | PrimarySequenceNeighborhoodSelectorCreator |
class | RandomGlycanFoliageSelector |
Selects a random carbohydrate residue from a subset or selector, then selects the rest of the glycan foliage. Used for sampling. More... | |
class | RandomResidueSelector |
The RandomResidueSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for N randomly selected residue positions, where N is a user-specified integer. More... | |
class | ResidueIndexSelector |
The ResidueIndexSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which match the given residue index. The index is read as comma-separated list of either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). It can also take range specifications (e.g. 10A-20A). Detection and mapping from PDB to Rosetta residue numbers is done internally. More... | |
class | ResidueInMembraneSelector |
The ResidueInMembraneSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are either in or out of the membrane. default is in. More... | |
class | ResidueInSequenceMotifSelector |
Select residues by motif search @detail This selector takes a regular expression and a position and then finds all matches of the regular expression and selects the n-th residue in each match, where 'n' is the specified position. More... | |
class | ResidueNameSelector |
The ResidueNameSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which match the given residue index. The index is read as comma-separated list of either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). Detection and mapping from PDB to Rosetta residue numbers is done internally. More... | |
class | ResiduePDBInfoHasLabelSelector |
The ResiduePDBInfoHasLabelSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions with the given label in pose PDB info for that residue. More... | |
class | ResiduePropertySelector |
A residue selector that selects based on set residue properties. More... | |
class | ResiduePropertySelectorCreator |
class | ResidueRange |
Class for storing a range of resids. More... | |
class | ResidueRanges |
class | ResidueSelector |
class | ResidueSelectorCreator |
class | AndResidueSelectorCreator |
class | BinSelectorCreator |
class | BondedResidueSelectorCreator |
class | ChainSelectorCreator |
class | DensityFitResidueSelectorCreator |
class | InterGroupInterfaceByVectorSelectorCreator |
class | GlycanPositionSelectorCreator |
class | GlycanResidueSelectorCreator |
class | GlycanSequonsSelectorCreator |
class | LayerSelectorCreator |
class | NotResidueSelectorCreator |
class | ResidueIndexSelectorCreator |
class | ResidueSpanSelectorCreator |
class | ResidueNameSelectorCreator |
class | ResidueInMembraneSelectorCreator |
class | NeighborhoodResidueSelectorCreator |
class | NumNeighborsSelectorCreator |
class | OrResidueSelectorCreator |
class | PhiSelectorCreator |
class | JumpUpstreamSelectorCreator |
class | JumpDownstreamSelectorCreator |
class | SecondaryStructureSelectorCreator |
class | SSElementSelectorCreator |
class | TrueResidueSelectorCreator |
class | FalseResidueSelectorCreator |
class | ResiduePDBInfoHasLabelSelectorCreator |
class | RandomResidueSelectorCreator |
class | RandomGlycanFoliageSelectorCreator |
class | ScoreTermValueBasedSelectorCreator |
class | ResidueInSequenceMotifSelectorCreator |
class | SliceResidueSelectorCreator |
class | SimpleMetricSelectorCreator |
class | ResidueSelectorFactory |
class | ResidueSelectorRegistrator |
This templated class will register an instance of an ResidueSelectorCreator (class T) with the ResidueSelectorFactory. It will ensure that no ResidueSelector creator is registered twice, and centralizes this registration logic so that thread safety issues can be handled in one place. More... | |
class | ResidueSpanSelector |
The ResidueSpanSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are within a given span. A span is defined by start and end point, each as either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). Detection and mapping from PDB to Rosetta residue numbers is done internally. (The span is defined based on Rosetta indicies, even if residues are given by PDB numbers.) More... | |
class | ResidueVector |
class | ReturnResidueSubsetSelector |
A simple selector that returns the set subset. This is to enable simplification of code-based interfaces to residue selectors, so that one may accept only selectors, but using this selector, we can set subsets. More... | |
class | ScoreTermValueBasedSelector |
class | SecondaryStructureSelector |
class | SelectorLogicParser |
Class to traverse the abstract syntax tree produced by the parsing of a properly-formed string in the Arithmetic expression language. Produces a ResidueSelector tree capable of logically joining together already-defined ResidueSelectors. More... | |
class | SimpleMetricSelector |
The SimpleMetricSelector allows conditional application of a residue selector. More... | |
class | SliceResidueSelector |
The SliceResidueSelector allows slicing of the returned values of other residue selectors. More... | |
class | SSElementSelector |
The SSElementSelector allows you to select objects based on their secondary structure defintion. Language: "A,B,C" or "A,B", "c_term","n_term","middle" A = numerical position of THAT type of secondary structure. So if the secondary structure was Helix-Sheet-Helix. 2,H would refer to the second helix A could be positive or negative depending if you're counting from the n_term(positive) or c_term negative B = secondary structure type as assigned by DSSP , "H","E","L" C = S=Start, E=End, M=Middle. More... | |
class | SymmetricalResidueSelector |
The SymmetricalResidueSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are symmetrically generated residues of the input list. (IE Union) More... | |
class | SymmetricalResidueSelectorCreator |
class | TrueResidueSelector |
class | VirtualResidueSelector |
a residue selector that wraps is_virtual_residue More... | |
class | VirtualResidueSelectorCreator |
Typedefs | |
typedef utility::pointer::shared_ptr< AndResidueSelector > | AndResidueSelectorOP |
typedef utility::pointer::shared_ptr< AndResidueSelector const > | AndResidueSelectorCOP |
typedef utility::pointer::shared_ptr< AsymmetricUnitSelector > | AsymmetricUnitSelectorOP |
typedef utility::pointer::shared_ptr< AsymmetricUnitSelector const > | AsymmetricUnitSelectorCOP |
using | BFactorSelectorOP = utility::pointer::shared_ptr< BFactorSelector > |
using | BFactorSelectorCOP = utility::pointer::shared_ptr< BFactorSelector const > |
typedef utility::pointer::shared_ptr< BinSelector > | BinSelectorOP |
typedef utility::pointer::shared_ptr< BinSelector const > | BinSelectorCOP |
using | BlockSelectorOP = utility::pointer::shared_ptr< BlockSelector > |
using | BlockSelectorCOP = utility::pointer::shared_ptr< BlockSelector const > |
typedef utility::pointer::shared_ptr< BondedResidueSelector > | BondedResidueSelectorOP |
typedef utility::pointer::shared_ptr< BondedResidueSelector const > | BondedResidueSelectorCOP |
typedef utility::pointer::shared_ptr< CachedResidueSubset > | CachedResidueSubsetOP |
typedef utility::pointer::shared_ptr< CachedResidueSubset const > | CachedResidueSubsetCOP |
typedef utility::pointer::shared_ptr< ChainSelector > | ChainSelectorOP |
typedef utility::pointer::shared_ptr< ChainSelector const > | ChainSelectorCOP |
typedef utility::pointer::shared_ptr< CloseContactResidueSelector > | CloseContactResidueSelectorOP |
typedef utility::pointer::shared_ptr< CloseContactResidueSelector const > | CloseContactResidueSelectorCOP |
using | ConfluentSelectorOP = utility::pointer::shared_ptr< ConfluentSelector > |
using | ConfluentSelectorCOP = utility::pointer::shared_ptr< ConfluentSelector const > |
typedef utility::pointer::shared_ptr< DensityFitResidueSelector > | DensityFitResidueSelectorOP |
typedef utility::pointer::shared_ptr< DensityFitResidueSelector const > | DensityFitResidueSelectorCOP |
typedef utility::pointer::shared_ptr< FalseResidueSelector > | FalseResidueSelectorOP |
typedef utility::pointer::shared_ptr< FalseResidueSelector const > | FalseResidueSelectorCOP |
typedef utility::pointer::shared_ptr< FractionSelector > | FractionSelectorOP |
typedef utility::pointer::shared_ptr< FractionSelector const > | FractionSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanLayerSelector > | GlycanLayerSelectorOP |
typedef utility::pointer::shared_ptr< GlycanLayerSelector const > | GlycanLayerSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanPositionSelector > | GlycanPositionSelectorOP |
typedef utility::pointer::shared_ptr< GlycanPositionSelector const > | GlycanPositionSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanResidueSelector > | GlycanResidueSelectorOP |
typedef utility::pointer::shared_ptr< GlycanResidueSelector const > | GlycanResidueSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanSequonsSelector > | GlycanSequonsSelectorOP |
typedef utility::pointer::shared_ptr< GlycanSequonsSelector const > | GlycanSequonsSelectorCOP |
typedef utility::pointer::shared_ptr< InterGroupInterfaceByVectorSelector > | InterGroupInterfaceByVectorSelectorOP |
typedef utility::pointer::shared_ptr< InterGroupInterfaceByVectorSelector const > | InterGroupInterfaceByVectorSelectorCOP |
typedef utility::pointer::shared_ptr< JumpDownstreamSelector > | JumpDownstreamSelectorOP |
typedef utility::pointer::shared_ptr< JumpDownstreamSelector const > | JumpDownstreamSelectorCOP |
typedef utility::pointer::shared_ptr< JumpUpstreamSelector > | JumpUpstreamSelectorOP |
typedef utility::pointer::shared_ptr< JumpUpstreamSelector const > | JumpUpstreamSelectorCOP |
typedef utility::pointer::shared_ptr< LayerSelector > | LayerSelectorOP |
typedef utility::pointer::shared_ptr< LayerSelector const > | LayerSelectorCOP |
using | LogicResidueSelectorOP = utility::pointer::shared_ptr< LogicResidueSelector > |
using | LogicResidueSelectorCOP = utility::pointer::shared_ptr< LogicResidueSelector const > |
typedef utility::pointer::shared_ptr< NeighborhoodResidueSelector > | NeighborhoodResidueSelectorOP |
typedef utility::pointer::shared_ptr< NeighborhoodResidueSelector const > | NeighborhoodResidueSelectorCOP |
typedef utility::pointer::shared_ptr< NotResidueSelector > | NotResidueSelectorOP |
typedef utility::pointer::shared_ptr< NotResidueSelector const > | NotResidueSelectorCOP |
typedef utility::pointer::shared_ptr< NumNeighborsSelector > | NumNeighborsSelectorOP |
typedef utility::pointer::shared_ptr< NumNeighborsSelector const > | NumNeighborsSelectorCOP |
typedef utility::pointer::shared_ptr< OrResidueSelector > | OrResidueSelectorOP |
typedef utility::pointer::shared_ptr< OrResidueSelector const > | OrResidueSelectorCOP |
typedef utility::pointer::shared_ptr< PhiSelector > | PhiSelectorOP |
typedef utility::pointer::shared_ptr< PhiSelector const > | PhiSelectorCOP |
typedef utility::pointer::shared_ptr< PrimarySequenceNeighborhoodSelector > | PrimarySequenceNeighborhoodSelectorOP |
typedef utility::pointer::shared_ptr< PrimarySequenceNeighborhoodSelector const > | PrimarySequenceNeighborhoodSelectorCOP |
typedef utility::pointer::shared_ptr< RandomGlycanFoliageSelector > | RandomGlycanFoliageSelectorOP |
typedef utility::pointer::shared_ptr< RandomGlycanFoliageSelector const > | RandomGlycanFoliageSelectorCOP |
typedef utility::pointer::shared_ptr< RandomResidueSelector > | RandomResidueSelectorOP |
typedef utility::pointer::shared_ptr< RandomResidueSelector const > | RandomResidueSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueIndexSelector > | ResidueIndexSelectorOP |
typedef utility::pointer::shared_ptr< ResidueIndexSelector const > | ResidueIndexSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueInMembraneSelector > | ResidueInMembraneSelectorOP |
typedef utility::pointer::shared_ptr< ResidueInMembraneSelector const > | ResidueInMembraneSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueInSequenceMotifSelector > | ResidueInSequenceMotifSelectorOP |
typedef utility::pointer::shared_ptr< ResidueInSequenceMotifSelector const > | ResidueInSequenceMotifSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueNameSelector > | ResidueNameSelectorOP |
typedef utility::pointer::shared_ptr< ResidueNameSelector const > | ResidueNameSelectorCOP |
typedef utility::pointer::shared_ptr< ResiduePDBInfoHasLabelSelector > | ResiduePDBInfoHasLabelSelectorOP |
typedef utility::pointer::shared_ptr< ResiduePDBInfoHasLabelSelector const > | ResiduePDBInfoHasLabelSelectorCOP |
typedef utility::pointer::shared_ptr< ResiduePropertySelector > | ResiduePropertySelectorOP |
typedef utility::pointer::shared_ptr< ResiduePropertySelector const > | ResiduePropertySelectorCOP |
typedef utility::pointer::shared_ptr< ResidueRanges > | ResidueRangesOP |
typedef utility::pointer::shared_ptr< ResidueRanges const > | ResidueRangesCOP |
typedef utility::pointer::weak_ptr< ResidueRanges > | ResidueRangesAP |
typedef utility::pointer::weak_ptr< ResidueRanges const > | ResidueRangesCAP |
typedef utility::vector1< bool > | ResidueSubset |
typedef utility::pointer::shared_ptr< ResidueSubset > | ResidueSubsetOP |
typedef utility::pointer::shared_ptr< ResidueSubset const > | ResidueSubsetCOP |
typedef utility::pointer::weak_ptr< ResidueSubset > | ResidueSubsetAP |
typedef utility::pointer::weak_ptr< ResidueSubset const > | ResidueSubsetCAP |
typedef utility::pointer::shared_ptr< ResidueSelector > | ResidueSelectorOP |
typedef utility::pointer::shared_ptr< ResidueSelector const > | ResidueSelectorCOP |
typedef utility::pointer::weak_ptr< ResidueSelector > | ResidueSelectorAP |
typedef utility::pointer::weak_ptr< ResidueSelector const > | ResidueSelectorCAP |
typedef utility::pointer::shared_ptr< ResidueSelectorCreator > | ResidueSelectorCreatorOP |
typedef utility::pointer::shared_ptr< ResidueSelectorCreator const > | ResidueSelectorCreatorCOP |
typedef utility::pointer::shared_ptr< ResidueSpanSelector > | ResidueSpanSelectorOP |
typedef utility::pointer::shared_ptr< ResidueSpanSelector const > | ResidueSpanSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueVector > | ResidueVectorOP |
typedef utility::pointer::shared_ptr< ResidueVector const > | ResidueVectorCOP |
typedef utility::pointer::weak_ptr< ResidueVector > | ResidueVectorAP |
typedef utility::pointer::weak_ptr< ResidueVector const > | ResidueVectorCAP |
typedef utility::pointer::shared_ptr< ReturnResidueSubsetSelector > | ReturnResidueSubsetSelectorOP |
typedef utility::pointer::shared_ptr< ReturnResidueSubsetSelector const > | ReturnResidueSubsetSelectorCOP |
typedef utility::pointer::shared_ptr< ScoreTermValueBasedSelector > | ScoreTermValueBasedSelectorOP |
typedef utility::pointer::shared_ptr< ScoreTermValueBasedSelector const > | ScoreTermValueBasedSelectorCOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSelector > | SecondaryStructureSelectorOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSelector const > | SecondaryStructureSelectorCOP |
typedef utility::pointer::shared_ptr< SelectorLogicParser > | SelectorLogicParserOP |
typedef utility::pointer::shared_ptr< SelectorLogicParser const > | SelectorLogicParserCOP |
typedef utility::pointer::shared_ptr< SimpleMetricSelector > | SimpleMetricSelectorOP |
typedef utility::pointer::shared_ptr< SimpleMetricSelector const > | SimpleMetricSelectorCOP |
typedef utility::pointer::shared_ptr< SliceResidueSelector > | SliceResidueSelectorOP |
typedef utility::pointer::shared_ptr< SliceResidueSelector const > | SliceResidueSelectorCOP |
typedef utility::pointer::shared_ptr< SSElementSelector > | SSElementSelectorOP |
typedef utility::pointer::shared_ptr< SSElementSelector const > | SSElementSelectorCOP |
typedef utility::pointer::shared_ptr< SymmetricalResidueSelector > | SymmetricalResidueSelectorOP |
typedef utility::pointer::shared_ptr< SymmetricalResidueSelector const > | SymmetricalResidueSelectorCOP |
typedef utility::pointer::shared_ptr< TrueResidueSelector > | TrueResidueSelectorOP |
typedef utility::pointer::shared_ptr< TrueResidueSelector const > | TrueResidueSelectorCOP |
typedef utility::pointer::shared_ptr< VirtualResidueSelector > | VirtualResidueSelectorOP |
typedef utility::pointer::shared_ptr< VirtualResidueSelector const > | VirtualResidueSelectorCOP |
Enumerations | |
enum | basic_selection_logic { and_logic = 1 , or_logic } |
Functions | |
static basic::Tracer | TR ("core.select.residue_selector.CachedResidueSubset") |
static const std::map< std::string, basic_selection_logic > | logic_map ({ { "or_logic", or_logic }, { "and_logic", and_logic } }) |
void | set_pose_secstruct (std::string const &ss) |
bool | has_option (utility::tag::TagCOP const &tag, std::string const &key) |
std::map< core::Size, core::Size > | get_residue_mapping_from_selectors (select::residue_selector::ResidueSelectorCOP selector, select::residue_selector::ResidueSelectorCOP selector_ref, core::pose::Pose const &pose, core::pose::Pose const &ref_pose, bool desymmetrize_selectors=true) |
Determine the residue mapping by residue selector and the reference selector. If both are null, will get a map of all residues. De-symmetrizes both residue selectors. More... | |
std::vector< std::map< core::Size, core::Size > > | get_cyclic_pose_residue_mappings_from_selectors (select::residue_selector::ResidueSelectorCOP residue_selector, select::residue_selector::ResidueSelectorCOP residue_selector_ref, core::pose::Pose const &pose, core::pose::Pose const &ref_pose, bool desymmetrize_selectors) |
std::string | complex_type_name_for_residue_selector (std::string const &rs_type) |
Used to name the xs:complexType for a residue selector that is created with the "rs_type" tag-name. Does so by prepending "rs_" and appending "Type" to the "rs_type". E.g., "rs_AndType" would be the name given to the complexType to describe the format of the AndResidueSelector. More... | |
void | xsd_type_definition_w_attributes (utility::tag::XMLSchemaDefinition &xsd, std::string const &rs_type, std::string const &rs_description, utility::tag::AttributeList const &attributes) |
Define the XML schema definition for a ResidueSelector that contains no other ResidueSelectors but may contain some number of attributes (aka options). More... | |
void | xsd_type_definition_w_attributes_and_optional_subselector (utility::tag::XMLSchemaDefinition &xsd, std::string const &rs_type, std::string const &rs_description, utility::tag::AttributeList const &attributes) |
Define the XML schema definition for a ResidueSelector that contains a single ResidueSelector in its set of sub-elements (aka sub-tags) and may contain some number of attributes (aka options). More... | |
void | xsd_type_definition_w_attributes_and_optional_subselectors (utility::tag::XMLSchemaDefinition &xsd, std::string const &rs_type, std::string const &rs_description, utility::tag::AttributeList const &attributes) |
Define the XML schema definition for a ResidueSelector that contains more than one ResidueSelector in its set of sub-elements (aka sub-tags) and may contain some number of attributes (aka options). More... | |
void | xsd_type_definition_w_attributes_and_optional_subselectors (utility::tag::XMLSchemaDefinition &xsd, std::string const &rs_type, std::string const &rs_description, core::Size min_occurrence, core::Size max_occurrence, utility::tag::AttributeList const &attributes) |
Define the XML schema definition for a ResidueSelector that contains more than one ResidueSelector in its set of sub-elements (aka sub-tags) and may contain some number of attributes (aka options). More... | |
ResidueSelectorCOP | parse_residue_selector (utility::tag::TagCOP tag, basic::datacache::DataMap const &data, std::string const &option_name="residue_selector") |
returns a residue selector given a tag and datamap More... | |
void | attributes_for_parse_residue_selector_default_option_name (utility::tag::AttributeList &attlist, std::string const &documentation_string) |
Companion function for parse_residue_selector. More... | |
std::string | parse_residue_selector_xsd_documentation () |
void | attributes_for_parse_residue_selector (utility::tag::AttributeList &attlist, std::string const &option_name="residue_selector", std::string const &documentation_string="") |
Companion function for parse_residue_selector. More... | |
void | attributes_for_parse_residue_selector_when_required (utility::tag::AttributeList &attlist, std::string const &option_name="residue_selector", std::string const &documentation_string="") |
Companion function for parse_residue_selector to be used when it is unacceptible for the parse_residue_selector function to return a null pointer. More... | |
ResidueSelectorCOP | get_residue_selector (std::string const &selector_name, basic::datacache::DataMap const &data) |
returns a residue selector given a selector's name and datamap More... | |
ResidueSelectorOP | get_embedded_residue_selector (utility::tag::TagCOP tag, basic::datacache::DataMap &datamap) |
returns a residue selector embeded in a tag. for example, the Chain selector in the example below: More... | |
utility::vector1< ResidueSelectorOP > | get_embedded_residue_selectors (utility::tag::TagCOP tag, basic::datacache::DataMap &datamap) |
returns residue selectors embeded in a tag. for example, the Chain selector in the example below: More... | |
bool | all_false_selection (ResidueSubset const &selection) |
Returns True if all the positions in the ResidueSubset are False. More... | |
bool | all_true_selection (ResidueSubset const &selection) |
Returns True if all the positions in the ResidueSubset are True. More... | |
bool | has_any_false_selection (ResidueSubset const &selection) |
Returns True if at least one position in the ResidueSubset is False. More... | |
bool | has_any_true_selection (ResidueSubset const &selection) |
Returns True if at least one position in the ResidueSubset is True. More... | |
core::Size | count_selected (ResidueSubset const &selection) |
Returns the number of selected residues in the ResidueSubset. More... | |
utility::vector1< core::Size > | selection_positions (ResidueSubset const &selection) |
Returns the Rosetta Numbering corresponding to the selected residues. More... | |
utility::vector1< core::Size > | unselection_positions (ResidueSubset const &selection) |
Returns the Rosetta Numbering corresponding to the unselected residues. More... | |
bool | are_selections_equal (ResidueSubset const &selection1, ResidueSubset const &selection2) |
Evaluate if two ResidueSubsets are equal. More... | |
std::string | represent_residue_selector (ResidueSubset const &selection, std::string const &is_true, std::string const &is_false) |
Returns a string representing the ResidueSubset (ยท for non selected, * for selected) More... | |
ResidueSelectorOP | OR_combine (ResidueSelectorOP sele1, ResidueSelectorOP sele2) |
If sele1 is already an OrResidueSelector, add sele2 to it. If not, return a new OrResidueSelector which combines the two. More... | |
ResidueSubset | OR_combine (ResidueSubset const &sele1, ResidueSubset const &sele2) |
Combine two residue subsets with OR logic. More... | |
ResidueSelectorOP | AND_combine (ResidueSelectorOP sele1, ResidueSelectorOP sele2) |
If sele1 is already an AndResidueSelector, add sele2 to it. If not, return a new AndResidueSelector which combines the two. More... | |
ResidueSubset | AND_combine (ResidueSubset const &sele1, ResidueSubset const &sele2) |
Combine two residue ssubsets with OR logic. More... | |
ResidueSelectorOP | parse_residue_selector_logic_string (basic::datacache::DataMap const &dm, utility::tag::TagCOP const &tag, std::string const &selector_logic_attribute_name="selector_logic") |
Read a string from the input tag with the indicated attribute name and interpret it as boolean logical operations on a set of existing ResidueSelectors that are already stored in the DataMap. More... | |
void | attributes_for_parse_residue_selector_logic_string (utility::tag::XMLSchemaDefinition &xsd, utility::tag::AttributeList &attributes, std::string const &selector_logic_attribute_name="selector_logic") |
Append an (optional) attribute that will be used in the call to parse_residue_selector_logic_string. More... | |
bool | regex_usable () |
test regex support More... | |
utility::vector1< core::select::residue_selector::ResidueSubset > | identify_ss_blocks_vec (utility::vector1< bool > const &subset) |
Will eventually replace standard function. More... | |
bool | all_L_dssp (core::pose::Pose const &pose) |
Is the DSSP all loop? A pose unfortunately starts with all L as the DSSP when creating a pose from seq and inserting residues as is done for segments. More... | |
typedef utility::pointer::shared_ptr< AndResidueSelector const > core::select::residue_selector::AndResidueSelectorCOP |
typedef utility::pointer::shared_ptr< AndResidueSelector > core::select::residue_selector::AndResidueSelectorOP |
typedef utility::pointer::shared_ptr< AsymmetricUnitSelector const > core::select::residue_selector::AsymmetricUnitSelectorCOP |
typedef utility::pointer::shared_ptr< AsymmetricUnitSelector > core::select::residue_selector::AsymmetricUnitSelectorOP |
using core::select::residue_selector::BFactorSelectorCOP = typedef utility::pointer::shared_ptr< BFactorSelector const > |
using core::select::residue_selector::BFactorSelectorOP = typedef utility::pointer::shared_ptr< BFactorSelector > |
typedef utility::pointer::shared_ptr< BinSelector const > core::select::residue_selector::BinSelectorCOP |
typedef utility::pointer::shared_ptr< BinSelector > core::select::residue_selector::BinSelectorOP |
using core::select::residue_selector::BlockSelectorCOP = typedef utility::pointer::shared_ptr< BlockSelector const > |
using core::select::residue_selector::BlockSelectorOP = typedef utility::pointer::shared_ptr< BlockSelector > |
typedef utility::pointer::shared_ptr< BondedResidueSelector const > core::select::residue_selector::BondedResidueSelectorCOP |
typedef utility::pointer::shared_ptr< BondedResidueSelector > core::select::residue_selector::BondedResidueSelectorOP |
typedef utility::pointer::shared_ptr< CachedResidueSubset const > core::select::residue_selector::CachedResidueSubsetCOP |
typedef utility::pointer::shared_ptr< CachedResidueSubset > core::select::residue_selector::CachedResidueSubsetOP |
typedef utility::pointer::shared_ptr< ChainSelector const > core::select::residue_selector::ChainSelectorCOP |
typedef utility::pointer::shared_ptr< ChainSelector > core::select::residue_selector::ChainSelectorOP |
typedef utility::pointer::shared_ptr< CloseContactResidueSelector const > core::select::residue_selector::CloseContactResidueSelectorCOP |
typedef utility::pointer::shared_ptr< CloseContactResidueSelector > core::select::residue_selector::CloseContactResidueSelectorOP |
using core::select::residue_selector::ConfluentSelectorCOP = typedef utility::pointer::shared_ptr< ConfluentSelector const > |
using core::select::residue_selector::ConfluentSelectorOP = typedef utility::pointer::shared_ptr< ConfluentSelector > |
typedef utility::pointer::shared_ptr< DensityFitResidueSelector const > core::select::residue_selector::DensityFitResidueSelectorCOP |
typedef utility::pointer::shared_ptr< DensityFitResidueSelector > core::select::residue_selector::DensityFitResidueSelectorOP |
typedef utility::pointer::shared_ptr< FalseResidueSelector const > core::select::residue_selector::FalseResidueSelectorCOP |
typedef utility::pointer::shared_ptr< FalseResidueSelector > core::select::residue_selector::FalseResidueSelectorOP |
typedef utility::pointer::shared_ptr< FractionSelector const > core::select::residue_selector::FractionSelectorCOP |
typedef utility::pointer::shared_ptr< FractionSelector > core::select::residue_selector::FractionSelectorOP |
typedef utility::pointer::shared_ptr< GlycanLayerSelector const > core::select::residue_selector::GlycanLayerSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanLayerSelector > core::select::residue_selector::GlycanLayerSelectorOP |
typedef utility::pointer::shared_ptr< GlycanPositionSelector const > core::select::residue_selector::GlycanPositionSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanPositionSelector > core::select::residue_selector::GlycanPositionSelectorOP |
typedef utility::pointer::shared_ptr< GlycanResidueSelector const > core::select::residue_selector::GlycanResidueSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanResidueSelector > core::select::residue_selector::GlycanResidueSelectorOP |
typedef utility::pointer::shared_ptr< GlycanSequonsSelector const > core::select::residue_selector::GlycanSequonsSelectorCOP |
typedef utility::pointer::shared_ptr< GlycanSequonsSelector > core::select::residue_selector::GlycanSequonsSelectorOP |
typedef utility::pointer::shared_ptr< InterGroupInterfaceByVectorSelector const > core::select::residue_selector::InterGroupInterfaceByVectorSelectorCOP |
typedef utility::pointer::shared_ptr< InterGroupInterfaceByVectorSelector > core::select::residue_selector::InterGroupInterfaceByVectorSelectorOP |
typedef utility::pointer::shared_ptr< JumpDownstreamSelector const > core::select::residue_selector::JumpDownstreamSelectorCOP |
typedef utility::pointer::shared_ptr< JumpDownstreamSelector > core::select::residue_selector::JumpDownstreamSelectorOP |
typedef utility::pointer::shared_ptr< JumpUpstreamSelector const > core::select::residue_selector::JumpUpstreamSelectorCOP |
typedef utility::pointer::shared_ptr< JumpUpstreamSelector > core::select::residue_selector::JumpUpstreamSelectorOP |
typedef utility::pointer::shared_ptr< LayerSelector const > core::select::residue_selector::LayerSelectorCOP |
typedef utility::pointer::shared_ptr< LayerSelector > core::select::residue_selector::LayerSelectorOP |
using core::select::residue_selector::LogicResidueSelectorCOP = typedef utility::pointer::shared_ptr< LogicResidueSelector const > |
using core::select::residue_selector::LogicResidueSelectorOP = typedef utility::pointer::shared_ptr< LogicResidueSelector > |
typedef utility::pointer::shared_ptr< NeighborhoodResidueSelector const > core::select::residue_selector::NeighborhoodResidueSelectorCOP |
typedef utility::pointer::shared_ptr< NeighborhoodResidueSelector > core::select::residue_selector::NeighborhoodResidueSelectorOP |
typedef utility::pointer::shared_ptr< NotResidueSelector const > core::select::residue_selector::NotResidueSelectorCOP |
typedef utility::pointer::shared_ptr< NotResidueSelector > core::select::residue_selector::NotResidueSelectorOP |
typedef utility::pointer::shared_ptr< NumNeighborsSelector const > core::select::residue_selector::NumNeighborsSelectorCOP |
typedef utility::pointer::shared_ptr< NumNeighborsSelector > core::select::residue_selector::NumNeighborsSelectorOP |
typedef utility::pointer::shared_ptr< OrResidueSelector const > core::select::residue_selector::OrResidueSelectorCOP |
typedef utility::pointer::shared_ptr< OrResidueSelector > core::select::residue_selector::OrResidueSelectorOP |
typedef utility::pointer::shared_ptr< PhiSelector const > core::select::residue_selector::PhiSelectorCOP |
typedef utility::pointer::shared_ptr< PhiSelector > core::select::residue_selector::PhiSelectorOP |
typedef utility::pointer::shared_ptr< PrimarySequenceNeighborhoodSelector const > core::select::residue_selector::PrimarySequenceNeighborhoodSelectorCOP |
typedef utility::pointer::shared_ptr< PrimarySequenceNeighborhoodSelector > core::select::residue_selector::PrimarySequenceNeighborhoodSelectorOP |
typedef utility::pointer::shared_ptr< RandomGlycanFoliageSelector const > core::select::residue_selector::RandomGlycanFoliageSelectorCOP |
typedef utility::pointer::shared_ptr< RandomGlycanFoliageSelector > core::select::residue_selector::RandomGlycanFoliageSelectorOP |
typedef utility::pointer::shared_ptr< RandomResidueSelector const > core::select::residue_selector::RandomResidueSelectorCOP |
typedef utility::pointer::shared_ptr< RandomResidueSelector > core::select::residue_selector::RandomResidueSelectorOP |
typedef utility::pointer::shared_ptr< ResidueIndexSelector const > core::select::residue_selector::ResidueIndexSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueIndexSelector > core::select::residue_selector::ResidueIndexSelectorOP |
typedef utility::pointer::shared_ptr< ResidueInMembraneSelector const > core::select::residue_selector::ResidueInMembraneSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueInMembraneSelector > core::select::residue_selector::ResidueInMembraneSelectorOP |
typedef utility::pointer::shared_ptr< ResidueInSequenceMotifSelector const > core::select::residue_selector::ResidueInSequenceMotifSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueInSequenceMotifSelector > core::select::residue_selector::ResidueInSequenceMotifSelectorOP |
typedef utility::pointer::shared_ptr< ResidueNameSelector const > core::select::residue_selector::ResidueNameSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueNameSelector > core::select::residue_selector::ResidueNameSelectorOP |
typedef utility::pointer::shared_ptr< ResiduePDBInfoHasLabelSelector const > core::select::residue_selector::ResiduePDBInfoHasLabelSelectorCOP |
typedef utility::pointer::shared_ptr< ResiduePDBInfoHasLabelSelector > core::select::residue_selector::ResiduePDBInfoHasLabelSelectorOP |
typedef utility::pointer::shared_ptr< ResiduePropertySelector const > core::select::residue_selector::ResiduePropertySelectorCOP |
typedef utility::pointer::shared_ptr< ResiduePropertySelector > core::select::residue_selector::ResiduePropertySelectorOP |
typedef utility::pointer::weak_ptr< ResidueRanges > core::select::residue_selector::ResidueRangesAP |
typedef utility::pointer::weak_ptr< ResidueRanges const > core::select::residue_selector::ResidueRangesCAP |
typedef utility::pointer::shared_ptr< ResidueRanges const > core::select::residue_selector::ResidueRangesCOP |
typedef utility::pointer::shared_ptr< ResidueRanges > core::select::residue_selector::ResidueRangesOP |
typedef utility::pointer::weak_ptr< ResidueSelector > core::select::residue_selector::ResidueSelectorAP |
typedef utility::pointer::weak_ptr< ResidueSelector const > core::select::residue_selector::ResidueSelectorCAP |
typedef utility::pointer::shared_ptr< ResidueSelector const > core::select::residue_selector::ResidueSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueSelectorCreator const > core::select::residue_selector::ResidueSelectorCreatorCOP |
typedef utility::pointer::shared_ptr< ResidueSelectorCreator > core::select::residue_selector::ResidueSelectorCreatorOP |
typedef utility::pointer::shared_ptr< ResidueSelector > core::select::residue_selector::ResidueSelectorOP |
typedef utility::pointer::shared_ptr< ResidueSpanSelector const > core::select::residue_selector::ResidueSpanSelectorCOP |
typedef utility::pointer::shared_ptr< ResidueSpanSelector > core::select::residue_selector::ResidueSpanSelectorOP |
typedef utility::vector1< bool > core::select::residue_selector::ResidueSubset |
typedef utility::pointer::weak_ptr< ResidueSubset > core::select::residue_selector::ResidueSubsetAP |
typedef utility::pointer::weak_ptr< ResidueSubset const > core::select::residue_selector::ResidueSubsetCAP |
typedef utility::pointer::shared_ptr< ResidueSubset const > core::select::residue_selector::ResidueSubsetCOP |
typedef utility::pointer::shared_ptr< ResidueSubset > core::select::residue_selector::ResidueSubsetOP |
typedef utility::pointer::weak_ptr< ResidueVector > core::select::residue_selector::ResidueVectorAP |
typedef utility::pointer::weak_ptr< ResidueVector const > core::select::residue_selector::ResidueVectorCAP |
typedef utility::pointer::shared_ptr< ResidueVector const > core::select::residue_selector::ResidueVectorCOP |
typedef utility::pointer::shared_ptr< ResidueVector > core::select::residue_selector::ResidueVectorOP |
typedef utility::pointer::shared_ptr< ReturnResidueSubsetSelector const > core::select::residue_selector::ReturnResidueSubsetSelectorCOP |
typedef utility::pointer::shared_ptr< ReturnResidueSubsetSelector > core::select::residue_selector::ReturnResidueSubsetSelectorOP |
typedef utility::pointer::shared_ptr< ScoreTermValueBasedSelector const > core::select::residue_selector::ScoreTermValueBasedSelectorCOP |
typedef utility::pointer::shared_ptr< ScoreTermValueBasedSelector > core::select::residue_selector::ScoreTermValueBasedSelectorOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSelector const > core::select::residue_selector::SecondaryStructureSelectorCOP |
typedef utility::pointer::shared_ptr< SecondaryStructureSelector > core::select::residue_selector::SecondaryStructureSelectorOP |
typedef utility::pointer::shared_ptr< SelectorLogicParser const > core::select::residue_selector::SelectorLogicParserCOP |
typedef utility::pointer::shared_ptr< SelectorLogicParser > core::select::residue_selector::SelectorLogicParserOP |
typedef utility::pointer::shared_ptr< SimpleMetricSelector const > core::select::residue_selector::SimpleMetricSelectorCOP |
typedef utility::pointer::shared_ptr< SimpleMetricSelector > core::select::residue_selector::SimpleMetricSelectorOP |
typedef utility::pointer::shared_ptr< SliceResidueSelector const > core::select::residue_selector::SliceResidueSelectorCOP |
typedef utility::pointer::shared_ptr< SliceResidueSelector > core::select::residue_selector::SliceResidueSelectorOP |
typedef utility::pointer::shared_ptr< SSElementSelector const > core::select::residue_selector::SSElementSelectorCOP |
typedef utility::pointer::shared_ptr< SSElementSelector > core::select::residue_selector::SSElementSelectorOP |
typedef utility::pointer::shared_ptr< SymmetricalResidueSelector const > core::select::residue_selector::SymmetricalResidueSelectorCOP |
typedef utility::pointer::shared_ptr< SymmetricalResidueSelector > core::select::residue_selector::SymmetricalResidueSelectorOP |
typedef utility::pointer::shared_ptr< TrueResidueSelector const > core::select::residue_selector::TrueResidueSelectorCOP |
typedef utility::pointer::shared_ptr< TrueResidueSelector > core::select::residue_selector::TrueResidueSelectorOP |
typedef utility::pointer::shared_ptr< VirtualResidueSelector const > core::select::residue_selector::VirtualResidueSelectorCOP |
typedef utility::pointer::shared_ptr< VirtualResidueSelector > core::select::residue_selector::VirtualResidueSelectorOP |
bool core::select::residue_selector::all_false_selection | ( | ResidueSubset const & | selection | ) |
Returns True if all the positions in the ResidueSubset are False.
References core::sequence::end.
Referenced by protocols::fold_from_loops::movers::ReleaseConstraintFromResidueMover::apply(), protocols::glycan_docking::GlycanDockProtocol::apply(), and protocols::fold_from_loops::movers::LabelPoseFromResidueSelectorMover::apply_no_remarks().
bool core::select::residue_selector::all_L_dssp | ( | core::pose::Pose const & | pose | ) |
Is the DSSP all loop? A pose unfortunately starts with all L as the DSSP when creating a pose from seq and inserting residues as is done for segments.
References core::pose::Pose::secstruct(), and core::pose::Pose::size().
bool core::select::residue_selector::all_true_selection | ( | ResidueSubset const & | selection | ) |
Returns True if all the positions in the ResidueSubset are True.
References core::sequence::end.
ResidueSelectorOP core::select::residue_selector::AND_combine | ( | ResidueSelectorOP | sele1, |
ResidueSelectorOP | sele2 | ||
) |
If sele1 is already an AndResidueSelector, add sele2 to it. If not, return a new AndResidueSelector which combines the two.
If either of the selectors are a nullptr, just return the other.
ResidueSubset core::select::residue_selector::AND_combine | ( | ResidueSubset const & | sele1, |
ResidueSubset const & | sele2 | ||
) |
Combine two residue ssubsets with OR logic.
Referenced by protocols::carbohydrates::get_total_rounds_for_overlap_one_layer_two().
bool core::select::residue_selector::are_selections_equal | ( | ResidueSubset const & | selection1, |
ResidueSubset const & | selection2 | ||
) |
Evaluate if two ResidueSubsets are equal.
Referenced by protocols::fold_from_loops::utils::map_by_residue_subsets().
void core::select::residue_selector::attributes_for_parse_residue_selector | ( | utility::tag::AttributeList & | attlist, |
std::string const & | option_name, | ||
std::string const & | documentation_string | ||
) |
Companion function for parse_residue_selector.
References parse_residue_selector_xsd_documentation().
Referenced by core::simple_metrics::add_per_residue_simple_metric_schema(), protocols::sewing::hashing::AlignmentFileGeneratorMover::append_ligands_subelement(), protocols::sewing::movers::AppendAssemblyMover::attributes_for_append_assembly_mover(), protocols::hbnet::HBNet::attributes_for_hbnet(), attributes_for_parse_residue_selector_default_option_name(), protocols::simple_moves::BackboneMover::complex_type_generator_for_backbone_mover(), protocols::kinematic_closure::BalancedKicMover::complex_type_generator_for_balancedKIC_mover(), protocols::cyclic_peptide::PeptideInternalHbondsMetric::provide_shared_xml_schema_elements(), protocols::fold_from_loops::utils::Nub::provide_xml_definition(), core::select::residue_selector::ScoreTermValueBasedSelector::provide_xml_schema(), core::pack::task::operation::OperateOnResidueSubset::provide_xml_schema(), core::select::jump_selector::ExclusivelySharedJumpSelector::provide_xml_schema(), core::select::jump_selector::JumpForResidue::provide_xml_schema(), core::select::residue_selector::AndResidueSelector::provide_xml_schema(), core::select::residue_selector::BFactorSelector::provide_xml_schema(), core::select::residue_selector::BlockSelector::provide_xml_schema(), core::select::residue_selector::BondedResidueSelector::provide_xml_schema(), core::select::residue_selector::CloseContactResidueSelector::provide_xml_schema(), core::select::residue_selector::ConfluentSelector::provide_xml_schema(), core::select::residue_selector::FractionSelector::provide_xml_schema(), core::select::residue_selector::InterGroupInterfaceByVectorSelector::provide_xml_schema(), core::select::residue_selector::NeighborhoodResidueSelector::provide_xml_schema(), core::select::residue_selector::NotResidueSelector::provide_xml_schema(), core::select::residue_selector::OrResidueSelector::provide_xml_schema(), core::select::residue_selector::PrimarySequenceNeighborhoodSelector::provide_xml_schema(), core::select::residue_selector::RandomGlycanFoliageSelector::provide_xml_schema(), core::select::residue_selector::RandomResidueSelector::provide_xml_schema(), core::select::residue_selector::SliceResidueSelector::provide_xml_schema(), core::select::residue_selector::SymmetricalResidueSelector::provide_xml_schema(), core::simple_metrics::composite_metrics::CompositeEnergyMetric::provide_xml_schema(), core::simple_metrics::metrics::DihedralDistanceMetric::provide_xml_schema(), core::simple_metrics::metrics::InteractionEnergyMetric::provide_xml_schema(), core::simple_metrics::metrics::RMSDMetric::provide_xml_schema(), core::simple_metrics::metrics::SecondaryStructureMetric::provide_xml_schema(), core::simple_metrics::metrics::SelectedResidueCountMetric::provide_xml_schema(), core::simple_metrics::metrics::SelectedResiduesMetric::provide_xml_schema(), core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::provide_xml_schema(), core::simple_metrics::metrics::SequenceMetric::provide_xml_schema(), core::simple_metrics::metrics::TotalEnergyMetric::provide_xml_schema(), core::simple_metrics::per_residue_metrics::HbondMetric::provide_xml_schema(), core::simple_metrics::per_residue_metrics::PerResidueClashMetric::provide_xml_schema(), core::simple_metrics::per_residue_metrics::PerResidueRMSDMetric::provide_xml_schema(), core::simple_metrics::per_residue_metrics::WaterMediatedHbondMetric::provide_xml_schema(), protocols::aa_composition::AddCompositionConstraintMover::provide_xml_schema(), protocols::aa_composition::AddHelixSequenceConstraintsMover::provide_xml_schema(), protocols::aa_composition::AddMHCEpitopeConstraintMover::provide_xml_schema(), protocols::aa_composition::AddNetChargeConstraintMover::provide_xml_schema(), protocols::abinitio::abscript::AbscriptLoopCloserCM::provide_xml_schema(), protocols::abinitio::abscript::FragmentJumpCM::provide_xml_schema(), protocols::abinitio::abscript::RigidChunkCM::provide_xml_schema(), protocols::analysis::simple_metrics::ConstraintsMetric::provide_xml_schema(), protocols::analysis::simple_metrics::SequenceRecoveryMetric::provide_xml_schema(), protocols::backbone_moves::RandomizeBBByRamaPrePro::provide_xml_schema(), protocols::calc_taskop_filters::RotamerBoltzmannWeight2::provide_xml_schema(), protocols::calc_taskop_movers::CreateSequenceMotifMover::provide_xml_schema(), protocols::chemically_conjugated_docking::UBQ_GTPaseMover::provide_xml_schema(), protocols::constraint_generator::AtomPairConstraintGenerator::provide_xml_schema(), protocols::constraint_generator::CoordinateConstraintGenerator::provide_xml_schema(), protocols::constraint_generator::MetalContactsConstraintGenerator::provide_xml_schema(), protocols::constraint_movers::AddConstraintsToCurrentConformationMover::provide_xml_schema(), protocols::cyclic_peptide::CrankshaftFlipMover::provide_xml_schema(), protocols::cyclic_peptide::FlipChiralityMover::provide_xml_schema(), protocols::cyclic_peptide::OversaturatedHbondAcceptorFilter::provide_xml_schema(), protocols::cyclic_peptide::PeptideCyclizeMover::provide_xml_schema(), protocols::cyclic_peptide::TryDisulfPermutations::provide_xml_schema(), protocols::denovo_design::architects::PoseArchitect::provide_xml_schema(), protocols::denovo_design::filters::CavityVolumeFilter::provide_xml_schema(), protocols::denovo_design::filters::PreProlineFilter::provide_xml_schema(), protocols::denovo_design::filters::SSShapeComplementarityFilter::provide_xml_schema(), protocols::docking::EnsureExclusivelySharedJumpMover::provide_xml_schema(), protocols::drug_design::RDKitMetric::provide_xml_schema(), protocols::environment::claims::TorsionClaim::provide_xml_schema(), protocols::environment::claims::XYZClaim::provide_xml_schema(), protocols::esm_perplexity::PerResidueEsmProbabilitiesMetric::provide_xml_schema(), protocols::fldsgn::filters::SecondaryStructureFilter::provide_xml_schema(), protocols::fold_from_loops::movers::LabelPoseFromResidueSelectorMover::provide_xml_schema(), protocols::grafting::simple_movers::DeleteRegionMover::provide_xml_schema(), protocols::match::MatcherMover::provide_xml_schema(), protocols::metal_interface::RemoveMetalConnectionsMover::provide_xml_schema(), protocols::multistage_rosetta_scripts::cluster::metrics::SequenceMetric::provide_xml_schema(), protocols::pose_creation::MakePolyXMover::provide_xml_schema(), protocols::pose_creation::SliceToMiniProteinMover::provide_xml_schema(), protocols::pose_sewing::filters::CoreScorer::provide_xml_schema(), protocols::pose_sewing::filters::HasDisulfideFilter::provide_xml_schema(), protocols::pose_sewing::movers::AddFlankingVirtualResiduesMover::provide_xml_schema(), protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::provide_xml_schema(), protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::provide_xml_schema(), protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::provide_xml_schema(), protocols::pose_sewing::simple_metrics::WindowPoseCompMotifMetric::provide_xml_schema(), protocols::protein_interface_design::filters::HbondsToResidueFilter::provide_xml_schema(), protocols::ptm_prediction::PTMPredictionMetric::provide_xml_schema(), protocols::residue_selectors::HBondSelector::provide_xml_schema(), protocols::residue_selectors::LigandMetalContactSelector::provide_xml_schema(), protocols::residue_selectors::NativeSelector::provide_xml_schema(), protocols::residue_selectors::StoreResidueSubsetMover::provide_xml_schema(), protocols::rna::movers::ERRASER2Protocol::provide_xml_schema(), protocols::score_filters::GeometryFilter::provide_xml_schema(), protocols::sewing::hashing::AlignmentFileGeneratorMover::provide_xml_schema(), protocols::simple_filters::AtomicDistanceFilter::provide_xml_schema(), protocols::simple_filters::BuriedUnsatHbondFilter::provide_xml_schema(), protocols::simple_filters::HolesFilter::provide_xml_schema(), protocols::simple_filters::ResidueCountFilter::provide_xml_schema(), protocols::simple_filters::ResidueIEFilter::provide_xml_schema(), protocols::simple_filters::ResidueSelectionDistanceFilter::provide_xml_schema(), protocols::simple_filters::SSElementLengthFilter::provide_xml_schema(), protocols::simple_moves::DeclareBond::provide_xml_schema(), protocols::simple_moves::FoldTreeFromMotif::provide_xml_schema(), protocols::simple_moves::ModifyVariantTypeMover::provide_xml_schema(), protocols::simple_moves::MutateResidue::provide_xml_schema(), protocols::simple_moves::SetupMetalsMover::provide_xml_schema(), protocols::simple_moves::SixDoFGridDockMover::provide_xml_schema(), protocols::switches::GraftSwitchMover::provide_xml_schema(), protocols::task_operations::ConservativeDesignOperation::provide_xml_schema(), protocols::task_operations::ReadResfileFromDB::provide_xml_schema(), protocols::task_operations::ResfileCommandOperation::provide_xml_schema(), protocols::task_operations::SequenceMotifTaskOperation::provide_xml_schema(), protocols::simple_moves::AddResidueLabelMoverCreator::provide_xml_schema(), core::pack::task::residue_selector::ClashBasedShellSelector::provide_xml_schema_attributes(), and core::pack::task::operation::ReadResfile::xml_schema_attributes().
void core::select::residue_selector::attributes_for_parse_residue_selector_default_option_name | ( | utility::tag::AttributeList & | attlist, |
std::string const & | documentation_string | ||
) |
Companion function for parse_residue_selector.
This assumes the default residue selector option name ("residue_selector").
References attributes_for_parse_residue_selector().
Referenced by protocols::rosetta_scripts::attributes_for_parse_residue_selector(), core::pack::task::operation::DesignRestrictions::provide_xml_schema(), core::select::residue_selector::DensityFitResidueSelector::provide_xml_schema(), core::simple_metrics::metrics::SasaMetric::provide_xml_schema(), core::simple_metrics::metrics::SequenceSimilarityMetric::provide_xml_schema(), protocols::carbohydrates::CreateGlycanSequonMover::provide_xml_schema(), protocols::constraint_generator::ResidueTypeConstraintGenerator::provide_xml_schema(), protocols::cyclic_peptide::CycpepSymmetryFilter::provide_xml_schema(), protocols::drug_design::ApplyChemistryMover::provide_xml_schema(), protocols::farnesyl::InstallFarnesylMover::provide_xml_schema(), protocols::minimization_packing::DisulfideOptimizationMover::provide_xml_schema(), and protocols::simple_filters::BuriedSurfaceAreaFilter::provide_xml_schema().
void core::select::residue_selector::attributes_for_parse_residue_selector_logic_string | ( | utility::tag::XMLSchemaDefinition & | , |
utility::tag::AttributeList & | attributes, | ||
std::string const & | selector_logic_attribute_name | ||
) |
Append an (optional) attribute that will be used in the call to parse_residue_selector_logic_string.
Referenced by core::pack::task::operation::DesignRestrictions::provide_xml_schema(), and core::pack::task::operation::OperateOnResidueSubset::provide_xml_schema().
void core::select::residue_selector::attributes_for_parse_residue_selector_when_required | ( | utility::tag::AttributeList & | attlist, |
std::string const & | option_name, | ||
std::string const & | documentation_string | ||
) |
Companion function for parse_residue_selector to be used when it is unacceptible for the parse_residue_selector function to return a null pointer.
References parse_residue_selector_xsd_documentation().
Referenced by protocols::fold_from_loops::utils::Nub::provide_xml_definition(), core::select::movemap::MoveMapFactory::provide_xml_schema(), protocols::cyclic_peptide::CrosslinkerMover::provide_xml_schema(), protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::provide_xml_schema(), protocols::fold_from_loops::filters::RmsdFromResidueSelectorFilter::provide_xml_schema(), protocols::fold_from_loops::filters::ScorePoseSegmentFromResidueSelectorFilter::provide_xml_schema(), protocols::fold_from_loops::movers::AlignByResidueSelectorMover::provide_xml_schema(), protocols::fold_from_loops::movers::ReleaseConstraintFromResidueMover::provide_xml_schema(), protocols::fold_from_loops::movers::SplitAndMixPoseMover::provide_xml_schema(), protocols::fold_from_loops::NubInitioMover::provide_xml_schema(), protocols::indexed_structure_store::movers::SegmentSequenceProfileMover::provide_xml_schema(), and protocols::simple_filters::InterfaceHydrophobicResidueContactsFilter::provide_xml_schema().
std::string core::select::residue_selector::complex_type_name_for_residue_selector | ( | std::string const & | rs_type | ) |
Used to name the xs:complexType for a residue selector that is created with the "rs_type" tag-name. Does so by prepending "rs_" and appending "Type" to the "rs_type". E.g., "rs_AndType" would be the name given to the complexType to describe the format of the AndResidueSelector.
Referenced by core::select::residue_selector::ResidueSelectorFactory::define_residue_selector_xml_schema(), xsd_type_definition_w_attributes(), xsd_type_definition_w_attributes_and_optional_subselector(), and xsd_type_definition_w_attributes_and_optional_subselectors().
core::Size core::select::residue_selector::count_selected | ( | ResidueSubset const & | selection | ) |
Returns the number of selected residues in the ResidueSubset.
References core::sequence::end.
Referenced by protocols::carbohydrates::GlycanTreeMinMover::apply(), protocols::carbohydrates::GlycanTreeModeler::apply(), protocols::fold_from_loops::movers::AlignByResidueSelectorMover::apply(), protocols::glycan_docking::GlycanDockProtocol::apply(), protocols::glycan_docking::calc_GlycanDock_intf_metrics(), protocols::fold_from_loops::filters::RmsdFromResidueSelectorFilter::compute(), protocols::fold_from_loops::NubInitioMover::count_contacts(), protocols::carbohydrates::get_total_rounds_for_overlap_one_layer_two(), protocols::carbohydrates::GlycanSampler::init_objects(), protocols::fold_from_loops::NubInitioMover::sanity_check(), protocols::carbohydrates::GlycanSampler::setup_movers(), protocols::fold_from_loops::NubInitioMover::template_insertion_ranges(), and protocols::fold_from_loops::NubInitioMover::used_template_ranges().
std::vector< std::map< core::Size, core::Size > > core::select::residue_selector::get_cyclic_pose_residue_mappings_from_selectors | ( | select::residue_selector::ResidueSelectorCOP | residue_selector, |
select::residue_selector::ResidueSelectorCOP | residue_selector_ref, | ||
core::pose::Pose const & | pose, | ||
core::pose::Pose const & | ref_pose, | ||
bool | desymmetrize_selectors | ||
) |
References core::select::get_master_subunit_selection(), core::select::get_residues_from_subset(), core::pose::symmetry::is_symmetric(), core::conformation::Residue::name(), core::pose::Pose::residue(), core::pose::Pose::size(), and TR().
Referenced by core::simple_metrics::metrics::RMSDMetric::calculate().
ResidueSelectorOP core::select::residue_selector::get_embedded_residue_selector | ( | utility::tag::TagCOP | tag, |
basic::datacache::DataMap & | datamap | ||
) |
returns a residue selector embeded in a tag. for example, the Chain selector in the example below:
Example: RESIDUE_SELECTORS> <Neighborhood name="chAB_neighbors"> <Chain chains="A,B"> </Neighborhood> /RESIDUE_SELECTORS>
@thorws utility::excn::EXCN_Msg_Exception if selector is not embedded ( ! tag->size() > 1)
Referenced by core::select::residue_selector::ScoreTermValueBasedSelector::parse_my_tag(), core::pack::task::residue_selector::ClashBasedShellSelector::parse_my_tag(), and core::select::residue_selector::NeighborhoodResidueSelector::parse_my_tag().
utility::vector1< ResidueSelectorOP > core::select::residue_selector::get_embedded_residue_selectors | ( | utility::tag::TagCOP | tag, |
basic::datacache::DataMap & | datamap | ||
) |
returns residue selectors embeded in a tag. for example, the Chain selector in the example below:
Example: RESIDUE_SELECTORS> <Neighborhood name="chAB_neighbors"> <Chain chains="A,B"> <Glycan > </Neighborhood> /RESIDUE_SELECTORS>
@thorws utility::excn::EXCN_Msg_Exception if no embedded selectors (tag->size() <= 1)
std::map< core::Size, core::Size > core::select::residue_selector::get_residue_mapping_from_selectors | ( | select::residue_selector::ResidueSelectorCOP | selector, |
select::residue_selector::ResidueSelectorCOP | selector_ref, | ||
core::pose::Pose const & | pose, | ||
core::pose::Pose const & | ref_pose, | ||
bool | desymmetrize_selectors = true |
||
) |
Determine the residue mapping by residue selector and the reference selector. If both are null, will get a map of all residues. De-symmetrizes both residue selectors.
By default, we only get a mapping of the master subunit. IE - ALL residues NOT in the asymmetric unit will be false
References core::select::get_master_subunit_selection(), core::select::get_residues_from_subset(), core::pose::symmetry::is_symmetric(), and core::pose::Pose::size().
Referenced by core::simple_metrics::metrics::DihedralDistanceMetric::calculate(), core::simple_metrics::per_residue_metrics::PerResidueRMSDMetric::calculate(), and core::simple_metrics::per_residue_metrics::PerResidueRMSDMetric::create_atom_id_map().
ResidueSelectorCOP core::select::residue_selector::get_residue_selector | ( | std::string const & | selector_name, |
basic::datacache::DataMap const & | data | ||
) |
returns a residue selector given a selector's name and datamap
Looks for selector in the datamap, if not found, will attempt to parse logicals using SelectorLogicParser. (AND/OR/NOT separated by spaces). Not gets priority. Returns a const ptr to the selector
utility::excn::EXCN_Msg_Exception | if selector is not found in datamap |
References core::select::residue_selector::SelectorLogicParser::parse_string_to_residue_selector(), and TR().
Referenced by protocols::denovo_design::get_residue_selector(), protocols::sewing::hashing::AlignmentFileGeneratorMover::parse_ligands_tag(), protocols::multistage_rosetta_scripts::cluster::metrics::SequenceMetric::parse_my_tag(), protocols::fldsgn::filters::SecondaryStructureCountFilter::parse_my_tag(), protocols::match::MatcherMover::parse_my_tag(), protocols::backrub::BackrubProtocol::parse_my_tag(), protocols::simple_filters::ContactMolecularSurfaceFilter::parse_my_tag(), protocols::simple_filters::HolesFilter::parse_my_tag(), protocols::simple_filters::ShapeComplementarityFilter::parse_my_tag(), protocols::aa_composition::AddCompositionConstraintMover::parse_my_tag(), protocols::aa_composition::AddMHCEpitopeConstraintMover::parse_my_tag(), protocols::aa_composition::AddNetChargeConstraintMover::parse_my_tag(), protocols::switches::GraftSwitchMover::parse_my_tag(), core::select::jump_selector::ExclusivelySharedJumpSelector::parse_my_tag(), core::select::jump_selector::JumpForResidue::parse_my_tag(), core::select::residue_selector::PrimarySequenceNeighborhoodSelector::parse_my_tag(), core::select::residue_selector::SymmetricalResidueSelector::parse_my_tag(), protocols::docking::EnsureExclusivelySharedJumpMover::parse_my_tag(), protocols::hbnet::HBNet::parse_my_tag(), protocols::simple_filters::BuriedUnsatHbondFilter::parse_my_tag(), protocols::simple_filters::ResidueIEFilter::parse_my_tag(), core::select::residue_selector::RandomResidueSelector::parse_my_tag(), core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::parse_my_tag(), core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::parse_my_tag(), protocols::abinitio::abscript::AbscriptLoopCloserCM::parse_my_tag(), protocols::abinitio::abscript::FragmentCM::parse_my_tag(), protocols::abinitio::abscript::FragmentJumpCM::parse_my_tag(), protocols::abinitio::abscript::RigidChunkCM::parse_my_tag(), protocols::chemically_conjugated_docking::UBQ_GTPaseMover::parse_my_tag(), protocols::denovo_design::filters::CavityVolumeFilter::parse_my_tag(), protocols::fold_from_loops::movers::AlignByResidueSelectorMover::parse_my_tag(), protocols::pose_creation::MergePDBMover::parse_my_tag(), protocols::pose_sewing::filters::CoreScorer::parse_my_tag(), protocols::pose_sewing::filters::HasDisulfideFilter::parse_my_tag(), protocols::pose_sewing::movers::AddFlankingVirtualResiduesMover::parse_my_tag(), protocols::pose_sewing::simple_metrics::BlockwisePoseCompMotifMetric::parse_my_tag(), protocols::pose_sewing::simple_metrics::BlockwiseShapeCompMetric::parse_my_tag(), protocols::pose_sewing::simple_metrics::MinimumInterAlphaDistanceMetric::parse_my_tag(), protocols::pose_sewing::simple_metrics::WindowPoseCompMotifMetric::parse_my_tag(), protocols::protein_mpnn::ProteinMPNNMover::parse_my_tag(), protocols::rbsegment_relax::ConfChangeMover::parse_my_tag(), protocols::rna::movers::ERRASER2Protocol::parse_my_tag(), protocols::sewing::hashing::AlignmentFileGeneratorMover::parse_my_tag(), protocols::sewing::movers::AppendAssemblyMover::parse_my_tag(), protocols::symmetry::SetupForSequenceSymmetryMover::parse_my_tag(), core::simple_metrics::metrics::ShapeSimilarityMetric::parse_my_tag(), protocols::fold_from_loops::filters::RmsdFromResidueSelectorFilter::parse_my_tag(), protocols::fold_from_loops::filters::ScorePoseSegmentFromResidueSelectorFilter::parse_my_tag(), core::select::residue_selector::BondedResidueSelector::parse_my_tag(), core::select::residue_selector::ScoreTermValueBasedSelector::parse_my_tag(), core::select::residue_selector::AndResidueSelector::parse_my_tag(), core::select::residue_selector::BFactorSelector::parse_my_tag(), core::select::residue_selector::BlockSelector::parse_my_tag(), core::select::residue_selector::CloseContactResidueSelector::parse_my_tag(), core::select::residue_selector::ConfluentSelector::parse_my_tag(), core::select::residue_selector::FractionSelector::parse_my_tag(), core::select::residue_selector::InterGroupInterfaceByVectorSelector::parse_my_tag(), core::select::residue_selector::LogicResidueSelector::parse_my_tag(), core::select::residue_selector::NeighborhoodResidueSelector::parse_my_tag(), core::select::residue_selector::NotResidueSelector::parse_my_tag(), core::select::residue_selector::OrResidueSelector::parse_my_tag(), core::select::residue_selector::SliceResidueSelector::parse_my_tag(), protocols::cyclic_peptide::TryDisulfPermutations::parse_my_tag(), protocols::residue_selectors::HBondSelector::parse_my_tag(), protocols::residue_selectors::LigandMetalContactSelector::parse_my_tag(), protocols::residue_selectors::NativeSelector::parse_my_tag(), parse_residue_selector(), protocols::denovo_design::movers::parse_residue_selectors(), protocols::jd3::parse_single_residue_selector(), core::pack::task::operation::OperateOnResidueSubset::parse_tag(), core::pack::task::operation::ReadResfile::parse_tag(), protocols::constraint_generator::AtomPairConstraintGenerator::parse_tag(), protocols::constraint_generator::DistanceConstraintGenerator::parse_tag(), protocols::constraint_generator::HydrogenBondConstraintGenerator::parse_tag(), protocols::constraint_generator::MetalContactsConstraintGenerator::parse_tag(), protocols::task_operations::ConservativeDesignOperation::parse_tag(), protocols::task_operations::ReadResfileFromDB::parse_tag(), protocols::environment::claims::TorsionClaim::TorsionClaim(), and protocols::environment::claims::XYZClaim::XYZClaim().
bool core::select::residue_selector::has_any_false_selection | ( | ResidueSubset const & | selection | ) |
Returns True if at least one position in the ResidueSubset is False.
References core::sequence::end.
bool core::select::residue_selector::has_any_true_selection | ( | ResidueSubset const & | selection | ) |
Returns True if at least one position in the ResidueSubset is True.
References core::sequence::end.
Referenced by protocols::fold_from_loops::utils::Nub::add_binders(), protocols::constraint_generator::AtomPairConstraintGenerator::generate_atom_pair_constraints(), protocols::fold_from_loops::utils::Nub::get_nub_pieces(), protocols::fold_from_loops::movers::NubInitioLoopClosureMover::has_cutpoints(), and protocols::fold_from_loops::movers::NubInitioLoopClosureMover::has_movable_residues().
bool core::select::residue_selector::has_option | ( | utility::tag::TagCOP const & | tag, |
std::string const & | key | ||
) |
utility::vector1< core::select::residue_selector::ResidueSubset > core::select::residue_selector::identify_ss_blocks_vec | ( | core::select::residue_selector::ResidueSubset const & | selection | ) |
Will eventually replace standard function.
Referenced by core::select::residue_selector::BlockSelector::apply().
|
static |
ResidueSelectorOP core::select::residue_selector::OR_combine | ( | ResidueSelectorOP | sele1, |
ResidueSelectorOP | sele2 | ||
) |
If sele1 is already an OrResidueSelector, add sele2 to it. If not, return a new OrResidueSelector which combines the two.
If either of the selectors are a nullptr, just return the other.
Referenced by protocols::protein_interface_design::filters::RmsdFilter::add_selector(), protocols::protein_interface_design::movers::BackrubDDMover::add_selector(), and protocols::calc_taskop_movers::DesignRepackMover::parse_my_tag().
ResidueSubset core::select::residue_selector::OR_combine | ( | ResidueSubset const & | sele1, |
ResidueSubset const & | sele2 | ||
) |
Combine two residue subsets with OR logic.
ResidueSelectorCOP core::select::residue_selector::parse_residue_selector | ( | utility::tag::TagCOP | tag, |
basic::datacache::DataMap const & | data, | ||
std::string const & | option_name = "residue_selector" |
||
) |
returns a residue selector given a tag and datamap
Looks for "residue_selector" (or whatever option_name is set to) option in tag. If that option isn't found, returns NULL ptr If that option is found, calls get_residue_selector()
References get_residue_selector(), and TR().
Referenced by protocols::cyclic_peptide::PeptideInternalHbondsMetric::configure_from_filter_tag(), protocols::rosetta_scripts::foreach_movemap_tag(), protocols::fldsgn::filters::SecondaryStructureFilter::parse_my_tag(), protocols::simple_filters::Worst9merFilter::parse_my_tag(), protocols::simple_moves::FoldTreeFromMotif::parse_my_tag(), protocols::carbohydrates::RingPlaneFlipMover::parse_my_tag(), protocols::carbohydrates::TautomerizeAnomerMover::parse_my_tag(), protocols::grafting::simple_movers::DeleteRegionMover::parse_my_tag(), protocols::simple_filters::SSElementLengthFilter::parse_my_tag(), protocols::residue_selectors::StoreResidueSubsetMover::parse_my_tag(), protocols::simple_moves::AddResidueLabelMover::parse_my_tag(), protocols::constraint_movers::AddConstraintsToCurrentConformationMover::parse_my_tag(), protocols::simple_moves::SetupMetalsMover::parse_my_tag(), protocols::pose_creation::MakePolyXMover::parse_my_tag(), protocols::protein_interface_design::filters::HbondsToResidueFilter::parse_my_tag(), protocols::score_filters::GeometryFilter::parse_my_tag(), protocols::simple_filters::AtomicDistanceFilter::parse_my_tag(), protocols::simple_filters::InterfaceHydrophobicResidueContactsFilter::parse_my_tag(), protocols::simple_filters::ResidueCountFilter::parse_my_tag(), protocols::simple_moves::AddSapConstraintMover::parse_my_tag(), protocols::simple_moves::ModifyVariantTypeMover::parse_my_tag(), protocols::simple_moves::MutateResidue::parse_my_tag(), core::pack::guidance_scoreterms::sap::PerResidueSapScoreMetric::parse_my_tag(), core::pack::guidance_scoreterms::sap::SapScoreMetric::parse_my_tag(), core::simple_metrics::composite_metrics::CompositeEnergyMetric::parse_my_tag(), core::simple_metrics::metrics::DihedralDistanceMetric::parse_my_tag(), core::simple_metrics::metrics::InteractionEnergyMetric::parse_my_tag(), core::simple_metrics::metrics::RMSDMetric::parse_my_tag(), core::simple_metrics::metrics::SasaMetric::parse_my_tag(), core::simple_metrics::metrics::SecondaryStructureMetric::parse_my_tag(), core::simple_metrics::metrics::SelectedResidueCountMetric::parse_my_tag(), core::simple_metrics::metrics::SelectedResiduesMetric::parse_my_tag(), core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::parse_my_tag(), core::simple_metrics::metrics::SequenceMetric::parse_my_tag(), core::simple_metrics::metrics::SequenceSimilarityMetric::parse_my_tag(), core::simple_metrics::metrics::TotalEnergyMetric::parse_my_tag(), core::simple_metrics::per_residue_metrics::HbondMetric::parse_my_tag(), core::simple_metrics::per_residue_metrics::PerResidueClashMetric::parse_my_tag(), core::simple_metrics::per_residue_metrics::PerResidueRMSDMetric::parse_my_tag(), core::simple_metrics::per_residue_metrics::WaterMediatedHbondMetric::parse_my_tag(), protocols::aa_composition::AddHelixSequenceConstraintsMover::parse_my_tag(), protocols::analysis::simple_metrics::ConstraintsMetric::parse_my_tag(), protocols::analysis::simple_metrics::SequenceRecoveryMetric::parse_my_tag(), protocols::backbone_moves::RandomizeBBByRamaPrePro::parse_my_tag(), protocols::calc_taskop_filters::RotamerBoltzmannWeight2::parse_my_tag(), protocols::calc_taskop_movers::CreateSequenceMotifMover::parse_my_tag(), protocols::carbohydrates::CreateGlycanSequonMover::parse_my_tag(), protocols::carbohydrates::GlycanSampler::parse_my_tag(), protocols::carbohydrates::GlycanTreeMinMover::parse_my_tag(), protocols::carbohydrates::GlycanTreeModeler::parse_my_tag(), protocols::carbohydrates::LinkageConformerMover::parse_my_tag(), protocols::carbohydrates::SimpleGlycosylateMover::parse_my_tag(), protocols::cyclic_peptide::CrankshaftFlipMover::parse_my_tag(), protocols::cyclic_peptide::CrosslinkerMover::parse_my_tag(), protocols::cyclic_peptide::CycpepRigidBodyPermutationMover::parse_my_tag(), protocols::cyclic_peptide::CycpepSymmetryFilter::parse_my_tag(), protocols::cyclic_peptide::OversaturatedHbondAcceptorFilter::parse_my_tag(), protocols::denovo_design::filters::PreProlineFilter::parse_my_tag(), protocols::denovo_design::filters::SSShapeComplementarityFilter::parse_my_tag(), protocols::drug_design::ApplyChemistryMover::parse_my_tag(), protocols::drug_design::RDKitMetric::parse_my_tag(), protocols::esm_perplexity::PerResidueEsmProbabilitiesMetric::parse_my_tag(), protocols::farnesyl::InstallFarnesylMover::parse_my_tag(), protocols::fold_from_loops::movers::LabelPoseFromResidueSelectorMover::parse_my_tag(), protocols::fold_from_loops::movers::ReleaseConstraintFromResidueMover::parse_my_tag(), protocols::fold_from_loops::movers::SplitAndMixPoseMover::parse_my_tag(), protocols::fold_from_loops::NubInitioMover::parse_my_tag(), protocols::kinematic_closure::BalancedKicMover::parse_my_tag(), protocols::metal_interface::RemoveMetalConnectionsMover::parse_my_tag(), protocols::minimization_packing::DisulfideOptimizationMover::parse_my_tag(), protocols::minimization_packing::PertMinMover::parse_my_tag(), protocols::pose_creation::SliceToMiniProteinMover::parse_my_tag(), protocols::ptm_prediction::PTMPredictionMetric::parse_my_tag(), protocols::simple_filters::BuriedSurfaceAreaFilter::parse_my_tag(), protocols::simple_filters::LongestContinuousPolarSegmentFilter::parse_my_tag(), protocols::simple_filters::ResidueSelectionDistanceFilter::parse_my_tag(), protocols::simple_moves::BackboneMover::parse_my_tag(), protocols::simple_moves::ConvertRealToVirtualMover::parse_my_tag(), protocols::simple_moves::ConvertVirtualToRealMover::parse_my_tag(), protocols::simple_moves::SixDoFGridDockMover::parse_my_tag(), core::select::movemap::MoveMapFactory::parse_my_tag(), core::pack::task::residue_selector::ClashBasedShellSelector::parse_my_tag(), core::select::residue_selector::DensityFitResidueSelector::parse_my_tag(), core::select::residue_selector::RandomGlycanFoliageSelector::parse_my_tag(), protocols::indexed_structure_store::movers::SegmentSequenceProfileMover::parse_my_tag(), protocols::simple_moves::StructProfileMover::parse_my_tag(), protocols::cyclic_peptide::FlipChiralityMover::parse_my_tag(), protocols::cyclic_peptide::PeptideCyclizeMover::parse_my_tag(), protocols::cyclic_peptide::PeptideStubMover::parse_my_tag(), protocols::simple_moves::DeclareBond::parse_my_tag(), core::simple_metrics::PerResidueProbabilitiesMetric::parse_per_residue_tag(), core::simple_metrics::PerResidueRealMetric::parse_per_residue_tag(), core::simple_metrics::PerResidueStringMetric::parse_per_residue_tag(), core::pack::task::operation::DesignRestrictions::parse_tag(), protocols::task_operations::ResfileCommandOperation::parse_tag(), protocols::task_operations::SequenceMotifTaskOperation::parse_tag(), protocols::fold_from_loops::utils::Nub::parse_tag(), protocols::constraint_generator::AtomPairConstraintGenerator::parse_tag(), protocols::constraint_generator::CoordinateConstraintGenerator::parse_tag(), protocols::constraint_generator::DihedralConstraintGenerator::parse_tag(), protocols::constraint_generator::ResidueTypeConstraintGenerator::parse_tag(), protocols::denovo_design::architects::PoseArchitect::parse_tag(), protocols::fold_from_loops::constraint_generator::SegmentedAtomPairConstraintGenerator::parse_tag(), and protocols::denovo_design::task_operations::ConsensusLoopDesignOperation::parse_tag().
ResidueSelectorOP core::select::residue_selector::parse_residue_selector_logic_string | ( | basic::datacache::DataMap const & | dm, |
utility::tag::TagCOP const & | tag, | ||
std::string const & | atname | ||
) |
Read a string from the input tag with the indicated attribute name and interpret it as boolean logical operations on a set of existing ResidueSelectors that are already stored in the DataMap.
References core::select::residue_selector::SelectorLogicParser::parse_string_to_residue_selector().
Referenced by core::pack::task::operation::OperateOnResidueSubset::parse_tag(), and core::pack::task::operation::DesignRestrictions::parse_tag().
std::string core::select::residue_selector::parse_residue_selector_xsd_documentation | ( | ) |
bool core::select::residue_selector::regex_usable | ( | ) |
test regex support
Referenced by core::select::residue_selector::ResidueInSequenceMotifSelector::apply().
std::string core::select::residue_selector::represent_residue_selector | ( | ResidueSubset const & | selection, |
std::string const & | is_true, | ||
std::string const & | is_false | ||
) |
Returns a string representing the ResidueSubset (ยท for non selected, * for selected)
Returns a string representing the ResidueSubset (- for non selected, * for selected)
Referenced by protocols::fold_from_loops::movers::AlignByResidueSelectorMover::apply(), protocols::fold_from_loops::movers::DisplayPoseLabelsMover::apply(), protocols::fold_from_loops::constraint_generator::AutomaticSheetConstraintGenerator::apply(), protocols::fold_from_loops::filters::RmsdFromResidueSelectorFilter::compute(), protocols::fold_from_loops::NubInitioMover::count_contacts(), protocols::fold_from_loops::movers::DisplayPoseLabelsMover::find_labels(), protocols::fold_from_loops::movers::DisplayPoseLabelsMover::print_task_operators(), protocols::fold_from_loops::utils::report_unfolded(), protocols::fold_from_loops::movers::NubInitioLoopClosureMover::show_cutpoints(), and protocols::fold_from_loops::NubInitioMover::used_template_ranges().
utility::vector1< core::Size > core::select::residue_selector::selection_positions | ( | ResidueSubset const & | selection | ) |
Returns the Rosetta Numbering corresponding to the selected residues.
References protocols::mpi_refinement::distance(), and core::sequence::end.
Referenced by protocols::docking::EnsureExclusivelySharedJumpMover::apply(), protocols::carbohydrates::GlycanTreeMinMover::apply(), protocols::carbohydrates::LinkageConformerMover::apply(), protocols::cyclic_peptide::CycpepRigidBodyPermutationMover::apply(), protocols::protein_mpnn::ProteinMPNNMover::apply(), protocols::simple_moves::BBDihedralSamplerMover::apply(), core::select::jump_selector::JumpForResidue::apply(), protocols::constraint_generator::DihedralConstraintGenerator::apply(), protocols::task_operations::ResfileCommandOperation::apply(), protocols::task_operations::SequenceMotifTaskOperation::apply(), protocols::fold_from_loops::utils::Nub::assign_disulfides(), protocols::cyclic_peptide::PeptideInternalHbondsMetric::count_hbonds(), protocols::pose_creation::MergePDBMover::determine_overlap(), protocols::fold_from_loops::movers::DisplayPoseLabelsMover::find_labels2(), protocols::calc_taskop_movers::CreateSequenceMotifMover::initialize_objects(), protocols::protein_mpnn::ProteinMPNNMover::residue_selectors_to_indices(), core::select::jump_selector::JumpSelector::selection_jumps(), core::select::residue_selector::ResidueSelector::selection_positions(), protocols::simple_moves::BBDihedralSamplerMover::setup_all_bb_residues(), protocols::fold_from_loops::movers::NubInitioLoopClosureMover::show_cutpoints(), and protocols::protein_mpnn::ProteinMPNNMover::validate_residue_selectors().
void core::select::residue_selector::set_pose_secstruct | ( | std::string const & | ss | ) |
|
static |
Referenced by core::select::residue_selector::SecondaryStructureSelector::add_overlap(), core::select::residue_selector::DensityFitResidueSelector::apply(), core::select::residue_selector::BFactorSelector::apply(), core::select::residue_selector::BinSelector::apply(), core::select::residue_selector::BlockSelector::apply(), core::select::residue_selector::BondedResidueSelector::apply(), core::select::residue_selector::CloseContactResidueSelector::apply(), core::select::residue_selector::GlycanLayerSelector::apply(), core::select::residue_selector::GlycanPositionSelector::apply(), core::select::residue_selector::LayerSelector::apply(), core::select::residue_selector::NeighborhoodResidueSelector::apply(), core::select::residue_selector::PhiSelector::apply(), core::select::residue_selector::PrimarySequenceNeighborhoodSelector::apply(), core::select::residue_selector::RandomGlycanFoliageSelector::apply(), core::select::residue_selector::ResidueIndexSelector::apply(), core::select::residue_selector::ResidueInSequenceMotifSelector::apply(), core::select::residue_selector::ResiduePDBInfoHasLabelSelector::apply(), core::select::residue_selector::ResidueSpanSelector::apply(), core::select::residue_selector::ScoreTermValueBasedSelector::apply(), core::select::residue_selector::SecondaryStructureSelector::apply(), core::select::residue_selector::SliceResidueSelector::apply(), core::select::residue_selector::SymmetricalResidueSelector::apply(), core::select::residue_selector::SecondaryStructureSelector::fix_secstruct_definition(), get_cyclic_pose_residue_mappings_from_selectors(), get_residue_selector(), core::select::residue_selector::SecondaryStructureSelector::get_secstruct(), core::select::residue_selector::BinSelector::initialize_and_check(), core::select::residue_selector::PrimarySequenceNeighborhoodSelector::parse_my_tag(), core::select::residue_selector::ResidueIndexSelector::parse_my_tag(), core::select::residue_selector::SymmetricalResidueSelector::parse_my_tag(), core::select::residue_selector::RandomResidueSelector::parse_my_tag(), core::select::residue_selector::ScoreTermValueBasedSelector::parse_my_tag(), core::select::residue_selector::BFactorSelector::parse_my_tag(), core::select::residue_selector::DensityFitResidueSelector::parse_my_tag(), core::select::residue_selector::LogicResidueSelector::parse_my_tag(), core::select::residue_selector::NeighborhoodResidueSelector::parse_my_tag(), core::select::residue_selector::PhiSelector::parse_my_tag(), parse_residue_selector(), core::select::residue_selector::SSElementSelector::parse_ss(), core::select::residue_selector::LayerSelector::set_angle_exponent(), core::select::residue_selector::LayerSelector::set_angle_shift_factor(), core::select::residue_selector::LayerSelector::set_ball_radius(), core::select::residue_selector::LayerSelector::set_cutoffs(), core::select::residue_selector::LayerSelector::set_dist_exponent(), core::select::residue_selector::LayerSelector::set_layers(), core::select::residue_selector::LayerSelector::set_sc_neighbor_denominator(), core::select::residue_selector::LayerSelector::set_sc_neighbor_dist_midpoint(), core::select::residue_selector::LayerSelector::set_use_sc_neighbors(), core::select::residue_selector::SliceResidueSelector::show_selection_logic(), and core::select::residue_selector::RandomResidueSelector::subset_from_randomized_vector().
utility::vector1< core::Size > core::select::residue_selector::unselection_positions | ( | ResidueSubset const & | selection | ) |
Returns the Rosetta Numbering corresponding to the unselected residues.
References protocols::mpi_refinement::distance(), and core::sequence::end.
Referenced by protocols::docking::EnsureExclusivelySharedJumpMover::apply().
void core::select::residue_selector::xsd_type_definition_w_attributes | ( | utility::tag::XMLSchemaDefinition & | xsd, |
std::string const & | rs_type, | ||
std::string const & | description, | ||
utility::tag::AttributeList const & | attributes | ||
) |
Define the XML schema definition for a ResidueSelector that contains no other ResidueSelectors but may contain some number of attributes (aka options).
References complex_type_name_for_residue_selector().
Referenced by protocols::residue_selectors::StoredResidueSubsetSelector::provide_xml_schema(), protocols::residue_selectors::TaskSelector::provide_xml_schema(), core::select::residue_selector::AsymmetricUnitSelector::provide_xml_schema(), core::select::residue_selector::BFactorSelector::provide_xml_schema(), core::select::residue_selector::BinSelector::provide_xml_schema(), core::select::residue_selector::BlockSelector::provide_xml_schema(), core::select::residue_selector::ChainSelector::provide_xml_schema(), core::select::residue_selector::ConfluentSelector::provide_xml_schema(), core::select::residue_selector::DensityFitResidueSelector::provide_xml_schema(), core::select::residue_selector::FalseResidueSelector::provide_xml_schema(), core::select::residue_selector::FractionSelector::provide_xml_schema(), core::select::residue_selector::GlycanLayerSelector::provide_xml_schema(), core::select::residue_selector::GlycanPositionSelector::provide_xml_schema(), core::select::residue_selector::GlycanResidueSelector::provide_xml_schema(), core::select::residue_selector::GlycanSequonsSelector::provide_xml_schema(), core::select::residue_selector::JumpDownstreamSelector::provide_xml_schema(), core::select::residue_selector::JumpUpstreamSelector::provide_xml_schema(), core::select::residue_selector::LayerSelector::provide_xml_schema(), core::select::residue_selector::LogicResidueSelector::provide_xml_schema(), core::select::residue_selector::NumNeighborsSelector::provide_xml_schema(), core::select::residue_selector::PhiSelector::provide_xml_schema(), core::select::residue_selector::ResidueIndexSelector::provide_xml_schema(), core::select::residue_selector::ResidueInMembraneSelector::provide_xml_schema(), core::select::residue_selector::ResidueInSequenceMotifSelector::provide_xml_schema(), core::select::residue_selector::ResidueNameSelector::provide_xml_schema(), core::select::residue_selector::ResiduePDBInfoHasLabelSelector::provide_xml_schema(), core::select::residue_selector::ResiduePropertySelector::provide_xml_schema(), core::select::residue_selector::ResidueSpanSelector::provide_xml_schema(), core::select::residue_selector::SecondaryStructureSelector::provide_xml_schema(), core::select::residue_selector::SSElementSelector::provide_xml_schema(), core::select::residue_selector::TrueResidueSelector::provide_xml_schema(), core::select::residue_selector::VirtualResidueSelector::provide_xml_schema(), protocols::cyclic_peptide::RamaMutationSelector::provide_xml_schema(), protocols::denovo_design::residue_selectors::PairedSheetResidueSelector::provide_xml_schema(), protocols::fold_from_loops::selectors::ConstraintResidueSelector::provide_xml_schema(), protocols::fold_from_loops::selectors::CutpointResidueSelector::provide_xml_schema(), protocols::fold_from_loops::selectors::ProteinResidueSelector::provide_xml_schema(), and protocols::hbnet::UnsatSelector::provide_xml_schema().
void core::select::residue_selector::xsd_type_definition_w_attributes_and_optional_subselector | ( | utility::tag::XMLSchemaDefinition & | xsd, |
std::string const & | rs_type, | ||
std::string const & | description, | ||
utility::tag::AttributeList const & | attributes | ||
) |
Define the XML schema definition for a ResidueSelector that contains a single ResidueSelector in its set of sub-elements (aka sub-tags) and may contain some number of attributes (aka options).
References complex_type_name_for_residue_selector(), and core::select::residue_selector::ResidueSelectorFactory::residue_selector_xml_schema_group_name().
Referenced by core::select::residue_selector::ScoreTermValueBasedSelector::provide_xml_schema(), core::select::residue_selector::BondedResidueSelector::provide_xml_schema(), core::select::residue_selector::CloseContactResidueSelector::provide_xml_schema(), core::select::residue_selector::NeighborhoodResidueSelector::provide_xml_schema(), core::select::residue_selector::NotResidueSelector::provide_xml_schema(), core::select::residue_selector::PrimarySequenceNeighborhoodSelector::provide_xml_schema(), core::select::residue_selector::RandomGlycanFoliageSelector::provide_xml_schema(), core::select::residue_selector::RandomResidueSelector::provide_xml_schema(), core::select::residue_selector::SimpleMetricSelector::provide_xml_schema(), core::select::residue_selector::SliceResidueSelector::provide_xml_schema(), core::select::residue_selector::SymmetricalResidueSelector::provide_xml_schema(), protocols::residue_selectors::HBondSelector::provide_xml_schema(), protocols::residue_selectors::LigandMetalContactSelector::provide_xml_schema(), and protocols::residue_selectors::NativeSelector::provide_xml_schema().
void core::select::residue_selector::xsd_type_definition_w_attributes_and_optional_subselectors | ( | utility::tag::XMLSchemaDefinition & | xsd, |
std::string const & | rs_type, | ||
std::string const & | description, | ||
core::Size | min_occurrence, | ||
core::Size | max_occurrence, | ||
utility::tag::AttributeList const & | attributes | ||
) |
Define the XML schema definition for a ResidueSelector that contains more than one ResidueSelector in its set of sub-elements (aka sub-tags) and may contain some number of attributes (aka options).
References complex_type_name_for_residue_selector(), and core::select::residue_selector::ResidueSelectorFactory::residue_selector_xml_schema_group_name().
void core::select::residue_selector::xsd_type_definition_w_attributes_and_optional_subselectors | ( | utility::tag::XMLSchemaDefinition & | xsd, |
std::string const & | rs_type, | ||
std::string const & | description, | ||
utility::tag::AttributeList const & | attributes | ||
) |
Define the XML schema definition for a ResidueSelector that contains more than one ResidueSelector in its set of sub-elements (aka sub-tags) and may contain some number of attributes (aka options).
References complex_type_name_for_residue_selector(), and core::select::residue_selector::ResidueSelectorFactory::residue_selector_xml_schema_group_name().
Referenced by core::select::residue_selector::AndResidueSelector::provide_xml_schema(), core::select::residue_selector::InterGroupInterfaceByVectorSelector::provide_xml_schema(), and core::select::residue_selector::OrResidueSelector::provide_xml_schema().