Pdb.h File Reference

#include "SimTKsimbody.h"
#include <cctype>
#include "molmodel/internal/Compound.h"
#include <map>

Go to the source code of this file.

Classes
class	SimTK::PdbResidueId
	Composite key for residue within a chain, composed of residue number and insertion code. More...
class	SimTK::Exception::UndefinedPdbChainId
class	SimTK::Exception::DuplicatePdbResidue
class	SimTK::Exception::UndefinedAminoAcidResidue
class	SimTK::PdbAtomLocation
	Location information for a PdbAtom, corresponding to one altLoc for a PdbAtom. More...
class	SimTK::PdbAtom
	One atom, which may have more than one location, in the case of static or dynamic disorder in an X-ray structure. More...
class	SimTK::PdbResidue
	One residue in a protein or nucleic acid, or a single molecule in the case of non-polymer structures. More...
class	SimTK::PdbChain
	One molecule in a PDB structure. More...
class	SimTK::PdbModel
	PDB structure containing one or more molecules (chains), corresponding to one member of an NMR ensemble of alternate structures, or to one frame of a molecular dynamics simulation. More...
class	SimTK::PdbStructure
	Complete PDB file, possibly including multiple MODELS, in the case of NMR structures or molecular dynamics trajectories. More...
Namespaces
namespace	SimTK
namespace	SimTK::Pdb
namespace	SimTK::Exception
Functions
	SimTK::Pdb::SimTK_DEFINE_UNIQUE_INDEX_TYPE (AtomIndex)
	SimTK::Pdb::SimTK_DEFINE_UNIQUE_INDEX_TYPE (ResidueIndex)
	SimTK::Pdb::SimTK_DEFINE_UNIQUE_INDEX_TYPE (ChainIndex)
	SimTK::Pdb::SimTK_DEFINE_UNIQUE_INDEX_TYPE (ModelIndex)
SimTK_MOLMODEL_EXPORT std::ostream &	operator<< (std::ostream &os, const SimTK::PdbModel &pdbModel)
SimTK_MOLMODEL_EXPORT std::ostream &	operator<< (std::ostream &os, const SimTK::PdbStructure &pdbStructure)

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Function Documentation

SimTK_MOLMODEL_EXPORT std::ostream& operator<<	(	std::ostream &	os,
		const SimTK::PdbModel &	pdbModel
	)

SimTK_MOLMODEL_EXPORT std::ostream& operator<<	(	std::ostream &	os,
		const SimTK::PdbStructure &	pdbStructure
	)