rxdock::PRMFactory Class Reference

Public Member Functions
RBTDLL_EXPORT	PRMFactory (ParameterFileSource *pParamSource)
RBTDLL_EXPORT	PRMFactory (ParameterFileSource *pParamSource, DockingSite *pDS)
DockingSite *	GetDockingSite () const
void	SetDockingSite (DockingSite *pDS)
RBTDLL_EXPORT ModelPtr	CreateReceptor ()
RBTDLL_EXPORT ModelPtr	CreateLigand (BaseMolecularFileSource *pSource)
RBTDLL_EXPORT ModelList	CreateSolvent ()

Static Public Attributes
static const std::string &	_CT = "PRMFactory"
static const std::string &	_REC_SECTION = "receptor"
static const std::string &	_REC_FILE = "file"
static const std::string &	_REC_TOPOL_FILE = "topology-file"
static const std::string &	_REC_COORD_FILE = "coordinate-file"
static const std::string &	_REC_NUM_COORD_FILES
static const std::string &	_REC_FLEX_DISTANCE = "flexibility-distance"
static const std::string &	_REC_DIHEDRAL_STEP
static const std::string &	_REC_ALL_H = "keep-all-hydrogens"
static const std::string &	_REC_MASSES_FILE = "masses-file"
static const std::string &	_REC_SEGMENT_NAME = "segment-name"
static const std::string &	_LIG_SECTION = "ligand"
static const std::string &	_SOLV_SECTION = "solvent"
static const std::string &	_SOLV_FILE = "file"

Member Data Documentation

_REC_DIHEDRAL_STEP

const std::string & PRMFactory::_REC_DIHEDRAL_STEP

static

Initial value:

=
    "dihedral-maximum-mutation-step"

_REC_NUM_COORD_FILES

const std::string & PRMFactory::_REC_NUM_COORD_FILES

static

Initial value:

=
    "number-of-coordinate-files"

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The documentation for this class was generated from the following files:

• PRMFactory.h
• PRMFactory.cxx