Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Types | Public Member Functions | Static Public Member Functions | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::denovo_design::architects::BlueprintArchitect Class Reference

Designs a structure using a Blueprint file. More...

#include <BlueprintArchitect.hh>

Inheritance diagram for protocols::denovo_design::architects::BlueprintArchitect:
Inheritance graph
[legend]

Public Types

typedef components::StructureData StructureData
 
- Public Types inherited from protocols::denovo_design::architects::DeNovoArchitect
typedef components::StructureDataOP StructureDataOP
 

Public Member Functions

 BlueprintArchitect (std::string const &id_value)
 
 ~BlueprintArchitect () override
 
std::string type () const override
 simply returns the name of this type of architect More...
 
DeNovoArchitectOP clone () const override
 
StructureDataOP design (core::pose::Pose const &pose, core::Real &random) const override
 
void set_blueprint (protocols::parser::BluePrint const &bp)
 
- Public Member Functions inherited from protocols::denovo_design::architects::DeNovoArchitect
 DeNovoArchitect (std::string const &id)
 
 ~DeNovoArchitect () override
 
components::StructureDataOP apply (core::pose::Pose const &pose) const
 
- Public Member Functions inherited from protocols::denovo_design::architects::StructureArchitect
 StructureArchitect (std::string const &id)
 
 ~StructureArchitect () override
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data)
 
std::string const & id () const
 
void set_id (std::string const &new_id)
 

Static Public Member Functions

static std::string class_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 
- Static Public Member Functions inherited from protocols::denovo_design::architects::DeNovoArchitect
static void add_common_denovo_architect_attributes (utility::tag::AttributeList &attlist)
 
- Static Public Member Functions inherited from protocols::denovo_design::architects::StructureArchitect
static void attributes_for_parse_my_tag (utility::tag::AttributeList &attlist)
 

Protected Member Functions

void parse_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override
 Configuration by XML. More...
 

Private Member Functions

void set_template_segments (StructureData &sd, core::pose::Pose const &pose) const
 add templated segments from pose. These are designated by a residue number in the blueprint instead of 0 More...
 
SegmentNames get_template_segments (StructureData const &sd) const
 gets names of templated segments from pose. These are designated by a residue number in the blueprint instead of 0. All residues in the segment must be sequential and not built denovo More...
 
void set_helix_pairings (StructureData &sd) const
 Adds helix pairings to the given SD using the HHPAIR line of the blueprint. More...
 
void get_helix_pairings (std::string const &hhpair_str, core::Size &h1, core::Size &h2, char &orientation) const
 Converts HHPAIR data in the blueprint into usable information. More...
 

Private Attributes

protocols::parser::BluePrintCOP blueprint_
 

Additional Inherited Members

- Static Public Attributes inherited from protocols::denovo_design::architects::DeNovoArchitect
static std::string const DATA_MAP_NAME = "DeNovoArchitects"
 

Detailed Description

Designs a structure using a Blueprint file.

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::denovo_design::architects::BlueprintArchitect::BlueprintArchitect ( std::string const &  id_value)
protocols::denovo_design::architects::BlueprintArchitect::~BlueprintArchitect ( )
overridedefault

Member Function Documentation

static std::string protocols::denovo_design::architects::BlueprintArchitect::class_name ( )
inlinestatic
DeNovoArchitectOP protocols::denovo_design::architects::BlueprintArchitect::clone ( ) const
overridevirtual
DeNovoArchitect::StructureDataOP protocols::denovo_design::architects::BlueprintArchitect::design ( core::pose::Pose const &  pose,
core::Real random 
) const
overridevirtual
void protocols::denovo_design::architects::BlueprintArchitect::get_helix_pairings ( std::string const &  hhpair_str,
core::Size h1,
core::Size h2,
char &  orientation 
) const
private

Converts HHPAIR data in the blueprint into usable information.

Parameters
[in]hhpair_strBlueprint HHPAIR string
[out]h1Helix number (N–>C ordering) for first paired helix
[out]h2Helix number (N–>C ordering) for first paired helix
[out]orientationOrientation of the helices (P or A)

References protocols::denovo_design::architects::invalid_hhpair().

Referenced by set_helix_pairings().

SegmentNames protocols::denovo_design::architects::BlueprintArchitect::get_template_segments ( StructureData const &  sd) const
private

gets names of templated segments from pose. These are designated by a residue number in the blueprint instead of 0. All residues in the segment must be sequential and not built denovo

Parameters
[in]sdStructureData to be scanned
Returns
SegmentNameSet of segments with templates

References blueprint_, class_name(), protocols::denovo_design::components::Segment::length(), protocols::denovo_design::components::Segment::lower(), protocols::denovo_design::components::StructureData::segment(), protocols::denovo_design::components::StructureData::segments_begin(), protocols::denovo_design::components::StructureData::segments_end(), and protocols::denovo_design::components::Segment::upper().

Referenced by set_template_segments().

void protocols::denovo_design::architects::BlueprintArchitect::parse_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
overrideprotectedvirtual

Configuration by XML.

Implements protocols::denovo_design::architects::DeNovoArchitect.

References set_blueprint().

void protocols::denovo_design::architects::BlueprintArchitect::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::denovo_design::architects::BlueprintArchitect::set_blueprint ( protocols::parser::BluePrint const &  bp)

References blueprint_.

Referenced by parse_tag().

void protocols::denovo_design::architects::BlueprintArchitect::set_helix_pairings ( StructureData sd) const
private

Adds helix pairings to the given SD using the HHPAIR line of the blueprint.

Parameters
[in,out]sdStructureData object to be modified

References blueprint_, get_helix_pairings(), protocols::antibody::h1, protocols::antibody::h2, and protocols::TR().

Referenced by design().

void protocols::denovo_design::architects::BlueprintArchitect::set_template_segments ( StructureData sd,
core::pose::Pose const &  pose 
) const
private

add templated segments from pose. These are designated by a residue number in the blueprint instead of 0

Parameters
[in,out]sdStructureData to be modified
[in]posePose containing template residues

References blueprint_, get_template_segments(), protocols::denovo_design::components::Segment::lower(), protocols::denovo_design::components::StructureData::segment(), protocols::denovo_design::components::StructureData::set_template_pose(), protocols::TR(), and protocols::denovo_design::components::Segment::upper().

Referenced by design().

std::string protocols::denovo_design::architects::BlueprintArchitect::type ( ) const
overridevirtual

simply returns the name of this type of architect

Implements protocols::denovo_design::architects::DeNovoArchitect.

References class_name().

Member Data Documentation

protocols::parser::BluePrintCOP protocols::denovo_design::architects::BlueprintArchitect::blueprint_
private

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