Rosetta  2020.37
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Functions
chemical Namespace Reference

Functions

BooleanOptionKey const chemical ("chemical")
 
StringVectorOptionKey const exclude_patches ("chemical:exclude_patches")
 
StringVectorOptionKey const include_patches ("chemical:include_patches")
 
StringVectorOptionKey const add_atom_type_set_parameters ("chemical:add_atom_type_set_parameters")
 
StringVectorOptionKey const add_atom_types ("chemical:add_atom_types")
 
StringVectorOptionKey const add_mm_atom_type_set_parameters ("chemical:add_mm_atom_type_set_parameters")
 
StringVectorOptionKey const set_atom_properties ("chemical:set_atom_properties")
 
StringVectorOptionKey const patch_selectors ("chemical:patch_selectors")
 
BooleanOptionKey const override_rsd_type_limit ("chemical:override_rsd_type_limit")
 
StringVectorOptionKey const clone_atom_types ("chemical:clone_atom_types")
 
StringVectorOptionKey const reassign_atom_types ("chemical:reassign_atom_types")
 
StringVectorOptionKey const reassign_icoor ("chemical:reassign_icoor")
 
StringVectorOptionKey const set_atomic_charge ("chemical:set_atomic_charge")
 
StringVectorOptionKey const set_patch_atomic_charge ("chemical:set_patch_atomic_charge")
 
BooleanOptionKey const enlarge_H_lj ("chemical:enlarge_H_lj")
 
BooleanOptionKey const no_hbonds_to_ether_oxygens ("chemical:no_hbonds_to_ether_oxygens")
 
BooleanOptionKey const unset_acceptor_ether_oxygens ("chemical:unset_acceptor_ether_oxygens")
 

Function Documentation

StringVectorOptionKey const chemical::add_atom_type_set_parameters ( "chemical:add_atom_type_set_parameters"  )
StringVectorOptionKey const chemical::add_atom_types ( "chemical:add_atom_types"  )
StringVectorOptionKey const chemical::add_mm_atom_type_set_parameters ( "chemical:add_mm_atom_type_set_parameters"  )
BooleanOptionKey const chemical::chemical ( "chemical"  )
StringVectorOptionKey const chemical::clone_atom_types ( "chemical:clone_atom_types"  )
BooleanOptionKey const chemical::enlarge_H_lj ( "chemical:enlarge_H_lj"  )
StringVectorOptionKey const chemical::exclude_patches ( "chemical:exclude_patches"  )
StringVectorOptionKey const chemical::include_patches ( "chemical:include_patches"  )
BooleanOptionKey const chemical::no_hbonds_to_ether_oxygens ( "chemical:no_hbonds_to_ether_oxygens"  )
BooleanOptionKey const chemical::override_rsd_type_limit ( "chemical:override_rsd_type_limit"  )
StringVectorOptionKey const chemical::patch_selectors ( "chemical:patch_selectors"  )
StringVectorOptionKey const chemical::reassign_atom_types ( "chemical:reassign_atom_types"  )
StringVectorOptionKey const chemical::reassign_icoor ( "chemical:reassign_icoor"  )
StringVectorOptionKey const chemical::set_atom_properties ( "chemical:set_atom_properties"  )
StringVectorOptionKey const chemical::set_atomic_charge ( "chemical:set_atomic_charge"  )
StringVectorOptionKey const chemical::set_patch_atomic_charge ( "chemical:set_patch_atomic_charge"  )
BooleanOptionKey const chemical::unset_acceptor_ether_oxygens ( "chemical:unset_acceptor_ether_oxygens"  )