Gemmi C++ API
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#include <algorithm>
#include <array>
#include <bitset>
#include <iterator>
#include <map>
#include <stdexcept>
#include <string>
#include <vector>
#include <unordered_map>
#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::OldToNew |
helper type used for Structure::shortened_ccd_codes More... | |
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 { 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) |
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) |