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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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Public Member Functions | |
| StringContext (SmartPtr< std::ifstream > ifile) | |
| StringContext (const StringContext &c) | |
| void | Assign (std::string key, ReturnType val) |
| void | Assign (int i, ReturnType val) |
| double | Get (ModelPtr lig, std::string name) |
| double | Get (ModelPtr rec, DockingSitePtr site, std::string name) |
| double | Get (BaseSF *spSF, std::string name, ModelPtr lig) |
| const Vble & | GetVble (std::string key) |
| const Vble & | GetVble (int key) |
| void | SetVble (int key, const Vble &v) |
| void | UpdateLigs (ModelPtr lig) |
| void | UpdateSite (ModelPtr rec, DockingSitePtr site) |
| void | UpdateScores (BaseSF *spSF, ModelPtr lig) |
Public Member Functions inherited from rxdock::Context | |
| Context (const Context &c) | |
| virtual void | Assign (std::string, ReturnType)=0 |
| virtual void | Assign (int, ReturnType)=0 |
| virtual const Vble & | GetVble (int)=0 |
| virtual const Vble & | GetVble (std::string)=0 |
| virtual void | SetVble (int key, const Vble &v)=0 |
Additional Inherited Members | |
Static Public Attributes inherited from rxdock::Context | |
| static const std::string | _CT = "Context" |
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inlinevirtual |
Implements rxdock::Context.
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inlinevirtual |
Implements rxdock::Context.
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inlinevirtual |
Implements rxdock::Context.
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inlinevirtual |
Implements rxdock::Context.
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inlinevirtual |
Implements rxdock::Context.