pdb.h File Reference

#include "nuri/eigen_config.h"
#include "nuri/core/container/property_map.h"
#include "nuri/core/element.h"
#include "nuri/core/molecule.h"
#include "nuri/fmt/base.h"
#include "nuri/utils.h"

Include dependency graph for pdb.h:

Go to the source code of this file.

Classes
class	nuri::PDBReader
class	nuri::PDBReaderFactory
struct	nuri::PDBResidueId
class	nuri::PDBAtomSite
	Represents a single site with position and properties. More...
class	nuri::PDBAtom
	Represents a PDB atom with (possibly) multiple alternate locations. More...
class	nuri::PDBResidue
	Represents a PDB residue containing atoms. More...
class	nuri::PDBChain
	Represents a PDB chain containing residues. More...
class	nuri::PDBModel
	Represents a PDB model containing chains. More...

Namespaces
namespace	nuri

Functions
Molecule	nuri::read_pdb (const std::vector< std::string > &pdb)
	Read a single PDB string and return a molecule.
int	nuri::write_pdb (std::string &out, const Molecule &mol, int model=-1, int conf=-1)
std::ostream &	nuri::operator<< (std::ostream &os, const PDBResidueId &id)
template<class Hash>
Hash	nuri::AbslHashValue (Hash h, PDBResidueId id)
bool	nuri::operator== (PDBResidueId lhs, PDBResidueId rhs)
PDBModel	nuri::read_pdb_model (const std::vector< std::string > &pdb)