RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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rxdock::CharmmDataSource Member List

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::CharmmDataSourcefriend
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::CharmmDataSourcefriend
~CharmmDataSource() (defined in rxdock::CharmmDataSource)rxdock::CharmmDataSource