Rosetta  2020.46
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LK_BallInfo.cc File Reference
#include <core/scoring/lkball/LK_BallInfo.hh>
#include <core/chemical/RestypeDestructionEvent.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/database/open.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <fstream>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <core/chemical/types.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/kinematics/Stub.hh>
#include <basic/Tracer.hh>
#include <basic/options/keys/dna.OptionKeys.gen.hh>
#include <numeric/conversions.hh>
#include <numeric/xyz.functions.hh>
#include <utility/io/izstream.hh>
#include <utility/tools/make_vector1.hh>
#include <sstream>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::scoring
 
 core::scoring::lkball
 

Functions

static basic::Tracer core::scoring::lkball::TR ("core.scoring.methods.LK_BallInfo")
 
static Real const core::scoring::lkball::optimal_water_distance (2.65)
 
Vector core::scoring::lkball::build_optimal_water_O_on_donor (Vector const &hxyz, Vector const &dxyz)
 
utility::vector1< Vectorcore::scoring::lkball::build_optimal_water_Os_on_acceptor (Size const acc_atm, conformation::Residue const &acc_rsd, Vector const &a_xyz, Vector b1_xyz, Vector b2_xyz, chemical::Hybridization const &hybrid)
 
void core::scoring::lkball::setup_water_builders_for_residue_type (ResidueType const &rsd_type, bool const sidechain_only, utility::vector1< WaterBuilders > &rsd_water_builders)