model.hpp File Reference

Data structures to store macromolecular structure models. More...

#include <algorithm>
#include <array>
#include <bitset>
#include <iterator>
#include <map>
#include <stdexcept>
#include <string>
#include <vector>
#include "elem.hpp"
#include "fail.hpp"
#include "unitcell.hpp"
#include "symmetry.hpp"
#include "metadata.hpp"
#include "iterator.hpp"
#include "span.hpp"
#include "seqid.hpp"
#include "util.hpp"

Go to the source code of this file.

Classes
struct	gemmi::PdbReadOptions
	options affecting how pdb file is read More...
struct	gemmi::Atom
	Represents atom site in macromolecular structure (~100 bytes). More...
struct	gemmi::Residue
struct	gemmi::ConstResidueSpan
struct	gemmi::ResidueSpan
struct	gemmi::ResidueGroup
struct	gemmi::ConstResidueGroup
struct	gemmi::ResidueSpan::GroupingProxy
struct	gemmi::Chain
struct	gemmi::const_CRA
struct	gemmi::CRA
class	gemmi::CraIterPolicy< CraT >
struct	gemmi::Model
struct	gemmi::Structure

Namespaces
namespace	gemmi

Typedefs
using	gemmi::AtomGroup = AtomGroup_< Atom >
using	gemmi::ConstAtomGroup = AtomGroup_< const Atom >
using	gemmi::CraProxy = CraProxy_< CRA, std::vector< Chain > & >
using	gemmi::ConstCraProxy = CraProxy_< const_CRA, const std::vector< Chain > & >

Enumerations
enum class	gemmi::CoorFormat : unsigned char {   gemmi::Unknown , gemmi::Detect , gemmi::Pdb , gemmi::Mmcif ,   gemmi::Mmjson , gemmi::ChemComp }
	File format of a macromolecular model. More...
enum class	gemmi::CalcFlag : signed char {   gemmi::NotSet =0 , gemmi::NoHydrogen , gemmi::Determined , gemmi::Calculated ,   gemmi::Dummy }
	corresponds to _atom_site.calc_flag in mmCIF More...

Functions
template<class T >
void	gemmi::remove_empty_children (T &obj)
bool	gemmi::is_same_conformer (char altloc1, char altloc2)
void	gemmi::add_distinct_altlocs (const Residue &res, std::string &altlocs)
std::string	gemmi::atom_str (const Chain &chain, const ResidueId &res_id, const Atom &atom)
std::string	gemmi::atom_str (const const_CRA &cra)
bool	gemmi::atom_matches (const const_CRA &cra, const AtomAddress &addr, bool ignore_segment=false)
AtomAddress	gemmi::make_address (const Chain &ch, const Residue &res, const Atom &at)
Entity *	gemmi::find_entity_of_subchain (const std::string &subchain_id, std::vector< Entity > &entities)
const Entity *	gemmi::find_entity_of_subchain (const std::string &subchain_id, const std::vector< Entity > &entities)

Detailed Description

Data structures to store macromolecular structure models.

Definition in file model.hpp.