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util.cc File Reference

Utilities for modifying and utilizing Residues and other core::chemical classes. More...

#include <core/chemical/util.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/AtomType.hh>
#include <core/types.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/chemical.OptionKeys.gen.hh>
#include <utility/vector1.hh>
#include <utility/file/file_sys_util.hh>
#include <basic/Tracer.hh>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::chemical
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::chemical
 

Functions

static basic::Tracer core::chemical::TR ("core.chemical.util")
 
core::chemical::ResidueTypeSetCAP core::chemical::rsd_set_from_cmd_line ()
 
void core::chemical::add_atom_type_set_parameters_from_command_line (std::string const &atom_type_set_tag, AtomTypeSet &atom_type_set)
 Add additional parameter files not present in <atom-set-name>/extras.txt. Called by ChemicalManager at time of AtomTypeSet creation. More...
 
void core::chemical::modify_atom_properties_from_command_line (std::string const &atom_type_set_tag, AtomTypeSet &atom_type_set)
 Modify atom_type properties from the command line. Called by ChemicalManager at time of AtomTypeSet creation. More...
 

Detailed Description

Utilities for modifying and utilizing Residues and other core::chemical classes.