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ChemicalManager.cc File Reference

Chemical manager class. More...

#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/ElementSet.hh>
#include <core/chemical/IdealBondLengthSet.hh>
#include <core/chemical/orbitals/OrbitalTypeSet.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/sdf/mol_parser.hh>
#include <core/chemical/ResidueDatabaseIO.hh>
#include <core/chemical/util.hh>
#include <utility/vector1.hh>
#include <utility/io/izstream.hh>
#include <basic/database/sql_utils.hh>
#include <basic/database/open.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/sql_database/DatabaseSessionManager.hh>
#include <utility/sql_database/types.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/corrections.OptionKeys.gen.hh>
#include <basic/options/keys/rna.OptionKeys.gen.hh>
#include <core/chemical/ResidueType.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.ChemicalManager")
 
std::string const core::chemical::FA_STANDARD ("fa_standard")
 tag name for querying fullatom chemical type set. More...
 
std::string const core::chemical::CENTROID ("centroid")
 tag name for querying centroid chemical type set. More...
 
std::string const core::chemical::COARSE_TWO_BEAD ("coarse_two_bead")
 tag name for querying coarse-grained chemical type set. More...
 
std::string const core::chemical::HYBRID_FA_STANDARD_CENTROID ("hybrid_fa_standard_centroid")
 tag name for querying hybrid fullatom+centroid chemical type set. More...
 
std::string const core::chemical::COARSE_RNA ("coarse_rna")
 tag name for querying COARSE_RNA chemical type set. More...
 

Variables

std::string const core::chemical::RNA = "rna"
 tag name for querying RNA chemical type set. More...
 

Detailed Description

Chemical manager class.

Author
Oliver Lange (olang.nosp@m.e@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu)