Scine::StructurePreparation::Default Struct Reference

Collaboration diagram for Scine::StructurePreparation::Default:

Public Attributes
std::string	proteinFile = "rmc.pdb"
std::string	nonRegContainerFile = "nonregular_container.xyz"
std::string	protonatedProteinFile = "rmc_H.xyz"
std::string	protonatedNonRegContainerFile = "nonregular_container_H.xyz"
std::string	nonRegContainerInfoFile = "atomic_info_nonregular_container.dat"
std::string	systemFile = "system.xyz"
std::string	titrationSitesFile = "titrable_sites.dat"

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The documentation for this struct was generated from the following file:

• src/Swoose/Swoose/StructurePreparation/StructurePreparationData.h