Open Babel File List

Here is a list of all files with brief descriptions:

atom.cpp	Handle OBAtom class
atom.h [code]	Handle atoms
base.cpp	Implementation of base classes
base.h [code]	Base classes to build a graph
bitvec.cpp	Fast and efficient bitstring class
bitvec.h [code]	Fast and efficient bitstring class
bond.cpp	Handle OBBond class
bond.h [code]	Handle bonds
bondtyper.cpp	Bond typer to perceive connectivity and bond orders/types
bondtyper.h [code]	Bond typer to perceive connectivity and bond orders/types
canon.cpp	Canonical numbering of SMILES, molecules and fragments
canon.h [code]	Canonical numbering of SMILES, molecules and fragments
chains.cpp	Parse for macromolecule chains and residues
chains.h [code]	Parse for macromolecule chains and residues
chiral.cpp	Detect chiral atoms and molecules
chiral.h [code]	Detect chiral atoms and molecules
data.cpp	Global data and resource file parsers
data.h [code]	Global data and resource file parsers
dlhandler.h [code]	Dynamic loader for file format modules
dlhandler_unix.cpp	Dynamic loader for UNIX (handles file format shared obj.)
dlhandler_win32.cpp	Dynamic loader for Win32 (handles file format DDLs)
fingerprint.cpp	Definitions for OBFingerprint base class and fastsearch classes
fingerprint.h [code]	Declaration of OBFingerprint base class and fastsearch classes
forcefield.cpp	Handle OBForceField class
forcefield.h [code]	Handle forcefields
generic.cpp	Handle OBGenericData classes. Custom data for atoms, bonds, etc
generic.h [code]	Handle generic data classes. Custom data for atoms, bonds, etc
grid.cpp	Handle grids of values
grid.h [code]	Handle grids of values
groupcontrib.cpp	Handle logP, PSA and other group-based prediction algorithms
groupcontrib.h [code]	Handle group contribution algorithms
internalcoord.h [code]	Declaration of OBInternalCoord class, conversion between Cartesian and Z-matrix form
kekulize.cpp	Alternate algorithm to kekulize a molecule (OBMol::NewPerceiveKekuleBonds())
kinetics.h [code]	OBRateData and OBNasaThermoData classes
lineend.h [code]	Translate line endings automatically (UNIX, Classic Mac, DOS)
matrix.cpp	Operations on arbitrary-sized matrix
matrix.h [code]	Operations on arbitrary-sized matrix
matrix3x3.cpp	Handle 3D rotation matrix
matrix3x3.h [code]	Handle 3D Rotation matrix
mol.cpp	Handle molecules. Implementation of OBMol
mol.h [code]	Handle molecules. Declarations of OBMol, OBAtom, OBBond, OBResidue. (the main header for Open Babel)
molchrg.cpp	Assign Gasteiger partial charges
molchrg.h [code]	Assign Gasteiger partial charges
obconversion.cpp	Implementation of OBFormat and OBConversion classes
obconversion.h [code]	Handle file conversions. Declaration of OBFormat, OBConversion
oberror.cpp	Handle error messages, warnings, notices, etc. Implements OBMessageHandler class
oberror.h [code]	Handle error messages, warnings, notices, etc
obiter.cpp	STL-style iterators for Open Babel
obiter.h [code]	STL-style iterators for Open Babel
obmolecformat.h [code]	Subclass of OBFormat for conversion of OBMol
obutil.cpp	Various utility methods
obutil.h [code]	Various utility methods
parsmart.cpp	Implementation of Daylight SMARTS parser
parsmart.h [code]	Daylight SMARTS parser
patty.cpp	Programmable atom typer
patty.h [code]	Programmable atom typer. (abbreviated P.At.Ty.)
phmodel.cpp	Read pH rules and assign charges
phmodel.h [code]	Read pH rules and assign charges
pluginiter.h [code]	Simplify 'plugin' classes to be discovered and/or loaded at runtime
rand.cpp	Pseudo random number generator
rand.h [code]	Pseudo random number generator
reaction.h [code]	Handle chemical reactions (i.e., lists of reagents and products)
residue.cpp	Handle macromolecule residues
residue.h [code]	Defines for residue properties, names, etc
ring.cpp	Deal with rings, find smallest set of smallest rings (SSSR)
ring.h [code]	Deal with rings, find smallest set of smallest rings (SSSR)
rotamer.cpp	Handle rotamer list data
rotamer.h [code]	Handle rotamer list data
rotor.cpp	Rotate dihedral angles according to rotor rules
rotor.h [code]	Rotate torsional according to rotor rules
snprintf.h [code]
tokenst.cpp	Tokenize a string
transform.cpp	Perform command-line requested transformations for OBMol and SMARTS filtering
typer.cpp	Open Babel atom and aromaticity typer
typer.h [code]	Open Babel atom and aromaticity typer
vector3.cpp	Handle 3D coordinates
vector3.h [code]	Handle 3D coordinates
xml.h [code]	Declaration of XMLConversion, declaration and definition of XMLBaseFormat and XMLMoleculeFormat