Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::StructurePreparation::ProtonationHandler Member List

This is the complete list of members for Scine::StructurePreparation::ProtonationHandler, including all inherited members.

generatePeptidHydrogen(const Utils::AtomCollection &structure, int indexN, int indexC, int indexO) (defined in Scine::StructurePreparation::ProtonationHandler)Scine::StructurePreparation::ProtonationHandlerstatic
protonateAllAminoAcids()Scine::StructurePreparation::ProtonationHandler
protonateNonRegContainerWithExternalSoftware()Scine::StructurePreparation::ProtonationHandler
ProtonationHandler(StructurePreparationData &data, StructurePreparationFiles &files, std::shared_ptr< Utils::Settings > settings)Scine::StructurePreparation::ProtonationHandler
ProtonationHandler() (defined in Scine::StructurePreparation::ProtonationHandler)Scine::StructurePreparation::ProtonationHandler
reprotonateCriticalAtom(Utils::AtomCollection &structure, int indexOfCriticalAtom, const std::string &residueName)Scine::StructurePreparation::ProtonationHandler
setProteinStructure(Utils::AtomCollection &structure)Scine::StructurePreparation::ProtonationHandler