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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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This is the complete list of members for rxdock::Cavity, including all inherited members.
Cavity(const CoordList &coordList, const Vector gridStep) (defined in rxdock::Cavity) | rxdock::Cavity | inline |
Cavity(json j) (defined in rxdock::Cavity) | rxdock::Cavity | inline |
from_json (defined in rxdock::Cavity) | rxdock::Cavity | friend |
GetCenterOfMass() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetCoordList() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetGrid() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetGridStep() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetMaxCoord() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetMinCoord() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetNumCoords() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetPrincipalAxes() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
GetVolume() const (defined in rxdock::Cavity) | rxdock::Cavity | inline |
operator<< (defined in rxdock::Cavity) | rxdock::Cavity | friend |
Print(std::ostream &s) const (defined in rxdock::Cavity) | rxdock::Cavity | inlinevirtual |
to_json (defined in rxdock::Cavity) | rxdock::Cavity | friend |
~Cavity() (defined in rxdock::Cavity) | rxdock::Cavity | inlinevirtual |