Rosetta  2021.16
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ExplicitWaterUnsatisfiedPolarsCalculator.cc File Reference
#include <protocols/pose_metric_calculators/ExplicitWaterUnsatisfiedPolarsCalculator.hh>
#include <numeric/random/random.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/Jump.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/ResidueFactory.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/rigid/RB_geometry.hh>
#include <basic/Tracer.hh>
#include <utility/exit.hh>
#include <utility/stream_util.hh>
#include <utility/string_util.hh>
#include <basic/MetricValue.hh>

Namespaces

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

Functions

static basic::Tracer protocols::pose_metric_calculators::TR ("protocols.toolbox.PoseMetricCalculators.ExplicitWaterUnsatisfiedPolarsCalculator")
 
void protocols::pose_metric_calculators::append_rsd_by_jump_near_atom (pose::Pose &pose, core::Size seqpos, core::Size atomno, conformation::Residue new_rsd, core::Size new_atomno, Real dist_min, Real dist_max)
 
void protocols::pose_metric_calculators::dock_waters_to_atom (pose::Pose &pose, ScoreFunctionOP scorefxn, core::Size seqpos, core::Size atomno, conformation::Residue wat_rsd, core::Size new_atomno, Real dist_min, Real dist_max)
 
void protocols::pose_metric_calculators::find_res_unsat_polars (Pose const pose, core::Size const seqpos, vector1< bool > &atm_is_unsat)