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RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
|
This is the complete list of members for rxdock::FFTGrid, including all inherited members.
| _CT (defined in rxdock::FFTGrid) | rxdock::FFTGrid | static |
| BaseGrid(const Coord &gridMin, const Vector &gridStep, unsigned int NX, unsigned int NY, unsigned int NZ, unsigned int NPad=0) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| BaseGrid(json j) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| BaseGrid(const BaseGrid &) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| Count(double val) const (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| CountRange(double valMin, double valMax) const (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| CreateSurface(double oldVal, double adjVal, double newVal) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| FFTGrid(const Coord &gridMin, const Coord &gridStep, unsigned int NX, unsigned int NY, unsigned int NZ, unsigned int NPad=0) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| FFTGrid(json j) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| FFTGrid(const FFTGrid &) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| FFTGrid(const RealGrid &) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| FFTGrid(const BaseGrid &) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| FindMaxPeak() const (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| FindMaxValue() const (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| FindMinValue() const (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| FindPeaks(double threshold, unsigned int minVol=1) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| GetCoord(unsigned int iX, unsigned int iY, unsigned int iZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetCoord(unsigned int iXYZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetCoordList(const std::set< unsigned int > &iXYZSet) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| GetGridCenter() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetGridData() (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| GetGridMax() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetGridMin() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetGridSize() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetGridStep() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIX(const Coord &c) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIX(double x) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIX(unsigned int iXYZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIXYZ(unsigned int iX, unsigned int iY, unsigned int iZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIXYZ(const Coord &c) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIY(const Coord &c) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIY(double y) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIY(unsigned int iXYZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIZ(const Coord &c) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIZ(double z) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetIZ(unsigned int iXYZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetN() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetNX() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetnXMax() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetnXMin() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetNY() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetnYMax() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetnYMin() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetNZ() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetnZMax() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetnZMin() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetPad() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetPadMax() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetPadMin() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetSmoothedValue(const Coord &c) const (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| GetSphereIndices(const Coord &c, double radius, std::vector< unsigned int > &sIndices) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| GetStrideX() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetStrideY() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetStrideZ() const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetTolerance() const (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| GetValue(const Coord &c) const (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| GetValue(unsigned int iX, unsigned int iY, unsigned int iZ) const (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| GetValue(unsigned int iXYZ) const (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| GetXCoord(unsigned int iX) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetYCoord(unsigned int iY) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| GetZCoord(unsigned int iZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| isValid(const Coord &c) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| isValid(unsigned int iX, unsigned int iY, unsigned int iZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| isValid(unsigned int iXYZ) const (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| isValueWithinSphere(const Coord &c, double radius, double val) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| MaxValue() const (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| MinValue() const (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| operator=(const FFTGrid &) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| operator=(const RealGrid &) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| operator=(const BaseGrid &) (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| OwnPrint(std::ostream &ostr) const (defined in rxdock::FFTGrid) | rxdock::FFTGrid | protected |
| Print(std::ostream &ostr) const (defined in rxdock::FFTGrid) | rxdock::FFTGrid | virtual |
| PrintInsightGrid(std::ostream &s) const (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| RealGrid(const Coord &gridMin, const Coord &gridStep, unsigned int NX, unsigned int NY, unsigned int NZ, unsigned int NPad=0) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| RealGrid(json j) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| RealGrid(const RealGrid &) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| RealGrid(const BaseGrid &) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| ReplaceValue(double oldVal, double newVal) (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| ReplaceValueRange(double oldValMin, double oldValMax, double newVal) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| SetAccessible(double radius, double oldVal, double adjVal, double newVal, bool bCenterOnly=true) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| SetAllValues(double val) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| SetGridCenter(const Coord &gridCenter) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| SetGridMin(const Coord &gridMin) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| SetGridStep(const Vector &gridStep) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| SetPad(unsigned int NPad=0) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | |
| SetSphere(const Coord &c, double radius, double val, bool bOverwrite=true) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| SetSurface(const Coord &c, double innerRad, double outerRad, double val, bool bOverwrite=true) (defined in rxdock::RealGrid) | rxdock::RealGrid | |
| SetTolerance(double tol) (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| SetValue(const Coord &c, double val) (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| SetValue(unsigned int iX, unsigned int iY, unsigned int iZ, double val) (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| SetValue(unsigned int iXYZ, double val) (defined in rxdock::RealGrid) | rxdock::RealGrid | inline |
| TranslateGrid(const Vector &vec) (defined in rxdock::BaseGrid) | rxdock::BaseGrid | inline |
| ~BaseGrid() (defined in rxdock::BaseGrid) | rxdock::BaseGrid | virtual |
| ~FFTGrid() (defined in rxdock::FFTGrid) | rxdock::FFTGrid | |
| ~RealGrid() (defined in rxdock::RealGrid) | rxdock::RealGrid |
1.9.7