core::chemical::mainchain_potential Namespace Reference

Classes
class	MainchainScoreTable

Typedefs
typedef utility::pointer::shared_ptr < MainchainScoreTable >	MainchainScoreTableOP
typedef utility::pointer::shared_ptr < MainchainScoreTable const >	MainchainScoreTableCOP

Functions
static basic::Tracer	TR ("core.chemical.mainchain_potential.MainchainScoreTable")
static basic::Tracer	TR ("core.chemical.mainchain_potential.util")
void	read_rama_map_file_shapovalov (std::string const &filename, utility::vector1< std::string > const &res_type_names, bool const use_polycubic_interpolation, std::map< std::string, MainchainScoreTableCOP > &mainchain_score_table_map)
	Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for mainchain potentials corresponding to a vector of ResidueType names, and return a map of (name->MainchainScoreTableCOP). More...
void	read_rama_map_file_shapovalov (std::string const &filename, bool const use_polycubic_interpolation, utility::vector1< std::pair< std::string, MainchainScoreTableOP > > &newtables)
	Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for all the mainchain potentials that it contains, and return a vector of pairs of (map name, MainchainScoreTableOP). More...

Typedef Documentation

typedef utility::pointer::shared_ptr< MainchainScoreTable const > core::chemical::mainchain_potential::MainchainScoreTableCOP

typedef utility::pointer::shared_ptr< MainchainScoreTable > core::chemical::mainchain_potential::MainchainScoreTableOP

Function Documentation

void core::chemical::mainchain_potential::read_rama_map_file_shapovalov	(	std::string const &	filename,
		utility::vector1< std::string > const &	res_type_names,
		bool const	use_polycubic_interpolation,
		std::map< std::string, MainchainScoreTableCOP > &	mainchain_score_table_map
	)

Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for mainchain potentials corresponding to a vector of ResidueType names, and return a map of (name->MainchainScoreTableCOP).

Parameters

[in]	filename	The name of the file to read.
[in]	res_type_names	A vector of ResidueType names that this function will seek data for.
[in]	use_polycubic_interpolation	Should the MainchainScoreTables use polycubic interpolation?
[out]	mainchain_score_table_map	The output map of (name->MainchainScoreTableCOP).

References protocols::abinitio::filename().

Referenced by core::scoring::ScoringManager::get_rama_prepro_mainchain_torsion_potential().

void core::chemical::mainchain_potential::read_rama_map_file_shapovalov	(	std::string const &	filename,
		bool const	use_polycubic_interpolation,
		utility::vector1< std::pair< std::string, MainchainScoreTableOP > > &	newtables
	)

Read a Shapovalov/Ramachandran-style mainchain torsion file, parse it for all the mainchain potentials that it contains, and return a vector of pairs of (map name, MainchainScoreTableOP).

Parameters

[in]	filename	The name of the file to read.
[in]	use_polycubic_interpolation	Should the MainchainScoreTables use polycubic interpolation?
[out]	newtables	The output vector of pairs of (name, MainchainScoreTableOP).

References protocols::abinitio::filename().

static basic::Tracer core::chemical::mainchain_potential::TR ( "core.chemical.mainchain_potential.util"  )

static

static basic::Tracer core::chemical::mainchain_potential::TR ( "core.chemical.mainchain_potential.MainchainScoreTable"  )

static