Rosetta  2020.46
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Functions
protocols::toolbox::sample_around Namespace Reference

Functions

void add_virtual_res (core::pose::Pose &pose, bool set_res_as_root)
 
void add_another_virtual_res (core::pose::Pose &pose)
 
void rotate_into_nucleobase_frame (core::pose::Pose &pose)
 
void rotate_into_phosphate_frame (core::pose::Pose &pose, core::Size const n, bool const center_on_OP2)
 
Real centroid_dist (core::pose::Pose &pose, bool const sample_another_adenosine_)
 
Real sample_all_rotations_at_jump (pose::Pose &pose, core::Size const num_jump, scoring::ScoreFunctionOP scorefxn)
 
Real do_scoring (pose::Pose &pose, scoring::ScoreFunctionOP scorefxn, bool const &sample_rotations, core::Size const probe_jump_num)
 
void do_xy_scan (pose::Pose &pose, scoring::ScoreFunctionOP scorefxn, std::string const &outfile, Real const z, core::Size const probe_jump_num, Real const box_bins, Real const translation_increment, bool const sample_rotations)
 

Function Documentation

void protocols::toolbox::sample_around::add_another_virtual_res ( core::pose::Pose pose)
void protocols::toolbox::sample_around::add_virtual_res ( core::pose::Pose pose,
bool  set_res_as_root 
)
core::Real protocols::toolbox::sample_around::centroid_dist ( core::pose::Pose pose,
bool const  sample_another_adenosine_ 
)
core::Real protocols::toolbox::sample_around::do_scoring ( pose::Pose pose,
scoring::ScoreFunctionOP  scorefxn,
bool const &  sample_rotations,
core::Size const  probe_jump_num 
)

References sample_all_rotations_at_jump().

Referenced by do_xy_scan().

void protocols::toolbox::sample_around::do_xy_scan ( pose::Pose pose,
scoring::ScoreFunctionOP  scorefxn,
std::string const &  outfile,
Real const  z,
core::Size const  probe_jump_num,
Real const  box_bins,
Real const  translation_increment,
bool const  sample_rotations 
)
void protocols::toolbox::sample_around::rotate_into_nucleobase_frame ( core::pose::Pose pose)
void protocols::toolbox::sample_around::rotate_into_phosphate_frame ( core::pose::Pose pose,
core::Size const  n,
bool const  center_on_OP2 
)
core::Real protocols::toolbox::sample_around::sample_all_rotations_at_jump ( pose::Pose pose,
core::Size const  num_jump,
scoring::ScoreFunctionOP  scorefxn 
)