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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::CharmmDataSource, including all inherited members.
| AtomicNumber(const std::string &strFFType) (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | |
| AtomTypeString(int nAtomType) (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | |
| CharmmDataSource(const std::string &strMassesFile=GetDataFileName("data", "masses.rtf")) (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | |
| FormalCharge(const std::string &strFFType) (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | |
| from_json (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | friend |
| HybridState(const std::string &strFFType) (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | |
| ImplicitHydrogens(const std::string &strFFType) (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | |
| to_json (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource | friend |
| ~CharmmDataSource() (defined in rxdock::CharmmDataSource) | rxdock::CharmmDataSource |