Rosetta  2021.16
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Namespaces | Functions
minimize_util.hh File Reference
#include <core/types.hh>
#include <core/id/AtomID.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::magnesium
 

Functions

void protocols::magnesium::minimize_magnesium_and_hydration_shell (pose::Pose &pose, utility::vector1< core::Size > const &mg_res, core::scoring::ScoreFunctionCOP minimize_scorefxn, core::Distance const mg_coord_cst_dist)
 
void protocols::magnesium::minimize_magnesium_and_hydration_shell (core::pose::Pose &pose, utility::vector1< core::pose::PoseOP > &pose_list, utility::vector1< core::Size > const &mg_res, core::scoring::ScoreFunctionCOP minimize_scorefxn=nullptr, core::Distance const mg_coord_cst_dist=0.2)
 
void protocols::magnesium::update_mg_hoh_fold_tree (pose::Pose &pose)
 
core::id::AtomID protocols::magnesium::get_closest_non_hoh_contact (pose::Pose const &pose, core::Size const i, std::string const &exclude_rsd)
 

Detailed Description

Author
Rhiju Das, rhiju.nosp@m.@sta.nosp@m.nford.nosp@m..edu