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LK_BallInfo.hh File Reference
#include <core/pose/Pose.fwd.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/chemical/RestypeDestructionEvent.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <basic/datacache/CacheableData.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzMatrix.hh>
#include <utility/SingletonBase.hh>
#include <utility/fixedsizearray1.hh>

Classes

class  core::scoring::lkball::WaterBuilder
 
class  core::scoring::lkball::WaterBuilderForRestype
 
class  core::scoring::lkball::LKBallDatabase
 A singleton class which stores data for LKBall terms. This is a separate singleton class, rather than static data on the LKB_ResidueInfo class so that the ResidueType destruction observer has a stable object to call back to. More...
 
class  core::scoring::lkball::LKB_ResidueInfo
 LKB_ResidueInfo holds the coordinates of the waters attached to a Residue More...
 
class  core::scoring::lkball::LKB_ResiduesInfo
 

Namespaces

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

Typedefs

typedef utility::vector1< Vectorcore::scoring::lkball::WaterCoords
 
typedef
utility::fixedsizearray1
< Vector,
MAX_N_WATERS_PER_ATOM > 
core::scoring::lkball::WaterDerivVectors
 
typedef
utility::fixedsizearray1< Real,
MAX_N_WATERS_PER_ATOM > 
core::scoring::lkball::WaterDerivContributions
 
typedef numeric::xyzMatrix< Real > core::scoring::lkball::WaterDerivMatrix
 
typedef
utility::fixedsizearray1< Real, 2 > 
core::scoring::lkball::AtomWeights
 
typedef utility::vector1
< WaterBuilder > 
core::scoring::lkball::WaterBuilders
 
typedef utility::vector1
< WaterBuilders > 
core::scoring::lkball::WaterBuildersList
 
typedef
utility::pointer::shared_ptr
< WaterBuildersList > 
core::scoring::lkball::WaterBuildersListOP
 
typedef
utility::pointer::shared_ptr
< WaterBuildersList const > 
core::scoring::lkball::WaterBuildersListCOP
 
typedef
utility::pointer::shared_ptr
< WaterBuilderForRestype > 
core::scoring::lkball::WaterBuilderForRestypeOP
 
typedef
utility::pointer::shared_ptr
< WaterBuilderForRestype const > 
core::scoring::lkball::WaterBuilderForRestypeCOP
 
typedef
utility::pointer::shared_ptr
< LKB_ResidueInfo > 
core::scoring::lkball::LKB_ResidueInfoOP
 
typedef
utility::pointer::shared_ptr
< const LKB_ResidueInfo > 
core::scoring::lkball::LKB_ResidueInfoCOP
 
typedef LKB_ResiduesInfo core::scoring::lkball::LKB_PoseInfo
 
typedef LKB_ResiduesInfo core::scoring::lkball::LKB_RotamerSetInfo
 
typedef
utility::pointer::shared_ptr
< LKB_PoseInfo > 
core::scoring::lkball::LKB_PoseInfoOP
 
typedef
utility::pointer::shared_ptr
< LKB_RotamerSetInfo > 
core::scoring::lkball::LKB_RotamerSetInfoOP
 

Variables

int const core::scoring::lkball::MAX_N_WATERS_PER_ATOM = 4