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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::BiMolWorkSpace, including all inherited members.
| _CT (defined in rxdock::WorkSpace) | rxdock::WorkSpace | static |
| _NAME (defined in rxdock::WorkSpace) | rxdock::WorkSpace | static |
| AddModels(ModelList modelList) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| AddParameter(const std::string &strName, const Variant &vValue) (defined in rxdock::ParamHandler) | rxdock::ParamHandler | protected |
| Attach(Observer *) (defined in rxdock::Subject) | rxdock::Subject | virtual |
| BiMolWorkSpace() (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| ClearParameters() (defined in rxdock::ParamHandler) | rxdock::ParamHandler | protected |
| ClearPopulation() (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| DeleteParameter(const std::string &strName) (defined in rxdock::ParamHandler) | rxdock::ParamHandler | protected |
| Detach(Observer *) (defined in rxdock::Subject) | rxdock::Subject | virtual |
| GetDockingSite() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetFilter() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetHistorySink() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetLigand() const (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| GetModel(unsigned int iModel) const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetModels() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetModels(unsigned int iModel) const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetName() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetNumModels() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetNumParameters() const (defined in rxdock::ParamHandler) | rxdock::ParamHandler | |
| GetParameter(const std::string &strName) const (defined in rxdock::ParamHandler) | rxdock::ParamHandler | |
| GetParameterNames() const (defined in rxdock::ParamHandler) | rxdock::ParamHandler | |
| GetParameters() const (defined in rxdock::ParamHandler) | rxdock::ParamHandler | |
| GetPopulation() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetReceptor() const (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| GetSF() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetSink() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| GetSolvent() const (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| GetTransform() const (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| hasSolvent() const (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| isParameterValid(const std::string &strName) const (defined in rxdock::ParamHandler) | rxdock::ParamHandler | |
| Notify() (defined in rxdock::Subject) | rxdock::Subject | virtual |
| ParameterUpdated(const std::string &strName) (defined in rxdock::ParamHandler) | rxdock::ParamHandler | inlineprotectedvirtual |
| ParamHandler() (defined in rxdock::ParamHandler) | rxdock::ParamHandler | protected |
| Print(std::ostream &s) const (defined in rxdock::ParamHandler) | rxdock::ParamHandler | virtual |
| RemoveModels(unsigned int iModel) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| RemoveSolvent() (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| Run() (defined in rxdock::WorkSpace) | rxdock::WorkSpace | virtual |
| Save(bool bSaveScores=true) (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | virtual |
| SaveHistory(bool bSaveScores=true) (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | virtual |
| SetDockingSite(DockingSitePtr spDockSite) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetFilter(FilterPtr spFilter) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetHistorySink(MolecularFileSinkPtr) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetLigand(ModelPtr spLigand) (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| SetModel(unsigned int iModel, ModelPtr spModel) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetModels(unsigned int iModel, ModelList modelList) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetName(const std::string &) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetParameter(const std::string &strName, const Variant &vValue) (defined in rxdock::ParamHandler) | rxdock::ParamHandler | |
| SetPopulation(PopulationPtr population) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetReceptor(ModelPtr spReceptor) (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| SetSF(BaseSF *) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetSink(MolecularFileSinkPtr) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| SetSolvent(ModelList solventList) (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| SetTransform(BaseTransform *) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| Subject() (defined in rxdock::Subject) | rxdock::Subject | protected |
| UpdateModelCoordsFromChromRecords(BaseMolecularFileSource *pSource) (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | |
| WorkSpace(unsigned int nModels=2) (defined in rxdock::WorkSpace) | rxdock::WorkSpace | |
| ~BiMolWorkSpace() (defined in rxdock::BiMolWorkSpace) | rxdock::BiMolWorkSpace | virtual |
| ~ParamHandler() (defined in rxdock::ParamHandler) | rxdock::ParamHandler | virtual |
| ~Subject() (defined in rxdock::Subject) | rxdock::Subject | virtual |
| ~WorkSpace() (defined in rxdock::WorkSpace) | rxdock::WorkSpace | virtual |
1.9.7