cif2pdb.cpp File Reference

#include "cif++.hpp"
#include "cif++/pdb/cif2pdb.hpp"
#include "cif++/gzio.hpp"
#include <cmath>
#include <deque>
#include <iomanip>
#include <map>
#include <regex>
#include <set>

Include dependency graph for cif2pdb.cpp:

Go to the source code of this file.

Classes
class	cif::pdb::FBase
class	cif::pdb::Fi
class	cif::pdb::Ff
class	cif::pdb::Fs
struct	cif::pdb::RM< N >
struct	cif::pdb::SEP

Namespaces
	cif::pdb

Typedefs
typedef RM< 3 >	cif::pdb::RM3

Enumerations
enum	cif::pdb::SoftwareType {   cif::pdb::eRefinement, cif::pdb::eDataScaling, cif::pdb::eDataExtraction, cif::pdb::eDataReduction,   cif::pdb::ePhasing }

Functions
std::string	cif::pdb::cif2pdbDate (const std::string &d)
std::string	cif::pdb::cif2pdbAuth (std::string name)
std::string	cif::pdb::cif2pdbSymmetry (std::string s)
std::string	cif::pdb::cif2pdbAtomName (std::string name, std::string resName, const datablock &db)
std::string	cif::pdb::cifSoftware (const datablock &db, SoftwareType sw)
std::vector< std::string >	cif::pdb::MapAsymIDs2ChainIDs (const std::vector< std::string > &asymIDs, const datablock &db)
size_t	cif::pdb::WriteContinuedLine (std::ostream &pdbFile, std::string header, int &count, int cLen, std::string text, std::string::size_type lStart=0)
size_t	cif::pdb::WriteOneContinuedLine (std::ostream &pdbFile, std::string header, int cLen, std::string line, int lStart=0)
size_t	cif::pdb::WriteCitation (std::ostream &pdbFile, const datablock &db, row_handle r, int reference)
void	cif::pdb::write_header_lines (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteTitle (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark1 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark2 (std::ostream &pdbFile, const datablock &db)
std::ostream &	cif::pdb::operator<< (std::ostream &os, FBase &&fld)
template<int N>
std::ostream &	cif::pdb::operator<< (std::ostream &os, RM< N > &&rm)
std::ostream &	cif::pdb::operator<< (std::ostream &os, SEP &&sep)
void	cif::pdb::WriteRemark3BusterTNT (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3CNS (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3Refmac (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3Shelxl (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3Phenix (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3XPlor (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3NuclSQ (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3ProlSQ (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark3 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark200 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark280 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark350 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark400 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark450 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark465 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark470 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark610 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark800 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemark999 (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteRemarks (std::ostream &pdbFile, const datablock &db)
int	cif::pdb::WritePrimaryStructure (std::ostream &pdbFile, const datablock &db)
int	cif::pdb::WriteHeterogen (std::ostream &pdbFile, const datablock &db)
std::tuple< int, int >	cif::pdb::WriteSecondaryStructure (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteConnectivity (std::ostream &pdbFile, const datablock &db)
int	cif::pdb::WriteMiscellaneousFeatures (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WriteCrystallographic (std::ostream &pdbFile, const datablock &db)
int	cif::pdb::WriteCoordinateTransformation (std::ostream &pdbFile, const datablock &db)
std::tuple< int, int >	cif::pdb::WriteCoordinatesForModel (std::ostream &pdbFile, const datablock &db, const std::map< std::string, std::tuple< std::string, int, std::string >> &last_resseq_for_chain_map, std::set< std::string > &terminatedChains, int model_nr)
std::tuple< int, int >	cif::pdb::WriteCoordinate (std::ostream &pdbFile, const datablock &db)
void	cif::pdb::WritePDBHeaderLines (std::ostream &os, const datablock &db)
std::string	cif::pdb::FixStringLength (const std::string &s, std::string::size_type l)
std::string	cif::pdb::get_HEADER_line (const datablock &db, std::string::size_type truncate_at)
std::string	cif::pdb::get_COMPND_line (const datablock &db, std::string::size_type truncate_at)
std::string	cif::pdb::get_SOURCE_line (const datablock &db, std::string::size_type truncate_at)
std::string	cif::pdb::get_AUTHOR_line (const datablock &db, std::string::size_type truncate_at)
void	cif::pdb::write (std::ostream &os, const datablock &db)
void	cif::pdb::write (const std::filesystem::path &p, const datablock &db)