protocols::ligand_docking::Translate_info Struct Reference

#include <Translate.hh>

Public Member Functions
	Translate_info ()=default
core::Size	chain_id (core::pose::Pose const &pose) const
char	chain_letter (core::pose::Pose const &pose) const
core::Size	jump_id (core::pose::Pose const &pose) const
void	set_chain_id (core::Size id)
void	set_chain_letter (std::string const &str)

Public Attributes
Distribution	distribution = Uniform
core::Real	angstroms = 0
core::Size	cycles = 0
bool	force = false

Private Attributes
bool	by_string_ = true
std::string	chain_string_ = "X"
core::Size	chain_number_ = 0

Constructor & Destructor Documentation

Translate_info()

protocols::ligand_docking::Translate_info::Translate_info ( )

default

Member Function Documentation

chain_id()

core::Size protocols::ligand_docking::Translate_info::chain_id

(

core::pose::Pose const &

pose

)

const

References by_string_, chain_number_, chain_string_, and core::pose::get_chain_ids_from_chain().

Referenced by protocols::ligand_docking::Translate::apply(), protocols::ligand_docking::Translate::get_chain_id(), and jump_id().

chain_letter()

char protocols::ligand_docking::Translate_info::chain_letter

(

core::pose::Pose const &

pose

)

const

References by_string_, chain_number_, chain_string_, and core::pose::get_chain_from_chain_id().

Referenced by protocols::ligand_docking::Translate::apply().

jump_id()

core::Size protocols::ligand_docking::Translate_info::jump_id

(

core::pose::Pose const &

pose

)

const

References chain_id(), and core::pose::get_jump_id_from_chain_id().

Referenced by protocols::ligand_docking::Translate::apply().

set_chain_id()

void protocols::ligand_docking::Translate_info::set_chain_id

(

core::Size

id

)

References by_string_, and chain_number_.

Referenced by protocols::ligand_docking::CompoundTranslate::apply().

set_chain_letter()

void protocols::ligand_docking::Translate_info::set_chain_letter

(

std::string const &

str

)

References by_string_, chain_string_, and protocols::kinmatch::str().

Referenced by protocols::ligand_docking::Translate::parse_my_tag(), and protocols::ligand_docking::CompoundTranslate::parse_my_tag().

Member Data Documentation

angstroms

core::Real protocols::ligand_docking::Translate_info::angstroms = 0

Referenced by protocols::ligand_docking::Translate::gaussian_translate_ligand(), protocols::ligand_docking::Translate::parse_my_tag(), protocols::ligand_docking::CompoundTranslate::parse_my_tag(), protocols::ligand_docking::Translate::translate_ligand(), and protocols::ligand_docking::Translate::uniform_translate_ligand().

by_string_

bool protocols::ligand_docking::Translate_info::by_string_ = true

private

Referenced by chain_id(), chain_letter(), set_chain_id(), and set_chain_letter().

chain_number_

core::Size protocols::ligand_docking::Translate_info::chain_number_ = 0

private

Referenced by chain_id(), chain_letter(), and set_chain_id().

chain_string_

std::string protocols::ligand_docking::Translate_info::chain_string_ = "X"

private

Referenced by chain_id(), chain_letter(), and set_chain_letter().

cycles

core::Size protocols::ligand_docking::Translate_info::cycles = 0

Referenced by protocols::ligand_docking::Translate::gaussian_translate_ligand(), protocols::ligand_docking::Translate::parse_my_tag(), protocols::ligand_docking::CompoundTranslate::parse_my_tag(), protocols::ligand_docking::Translate::translate_ligand(), and protocols::ligand_docking::Translate::uniform_translate_ligand().

distribution

Distribution protocols::ligand_docking::Translate_info::distribution = Uniform

Referenced by protocols::ligand_docking::Translate::parse_my_tag(), protocols::ligand_docking::CompoundTranslate::parse_my_tag(), and protocols::ligand_docking::Translate::translate_ligand().

force

bool protocols::ligand_docking::Translate_info::force = false

Referenced by protocols::ligand_docking::Translate::gaussian_translate_ligand(), protocols::ligand_docking::Translate::parse_my_tag(), protocols::ligand_docking::CompoundTranslate::parse_my_tag(), and protocols::ligand_docking::Translate::uniform_translate_ligand().

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

• src/protocols/ligand_docking/Translate.hh
• src/protocols/ligand_docking/Translate.cc