The OEFormat namespace encodes symbolic constants representing the molecular file formats that may be read or written by OEChem.
See also
This namespace contains the following constants:
Default
The default file format type is OEFormat_SMI.
CAN
This constant indicates Canonical SMILES file format.
CDX
This constant indicates ChemDraw CDX file format.
CSV
This constant indicates the comma separated values file format as specified by RFC 4180. The first column is canonical isomeric SMILES, the second column is the molecule title, the remaining columns are SD data as determined by the first molecule read or written to the oemolstreambase.
See also
FASTA
This constant indicates FASTA protein sequence file format.
INCHI
This constant indicates IUPAC InChI file format.
INCHIKEY
This constant indicates IUPAC InChI Key file format.
ISM
This constant indicates Canonical isomeric SMILES file format. This is the same as the OEFormat_SMI file format.
MAXFORMAT
The maximum integral value any constant in the OEFormat can have.
Note
Values in this namespace are guaranteed to be contiguous.
MDL
This constant indicates MDL Mol file format.
MF
This constant indicates Molecular Formula (Hill order) format.
MMOD
This constant indicates Macromodel file format.
MOL2
This constant indicates Tripos Sybyl mol2 file format.
MOL2H
This constant indicates Tripos Sybyl mol2 file format with explicit hydrogens.
MOPAC
This constant indicates MOPAC file format.
OEB
This constant indicates OpenEye OEBinary file format.
PDB
This constant indicates Protein Databank PDB file format.
RDF
This constant indicates MDL RDF reaction file format.
SDF
This constant indicates MDL SD file format.
SKC
This constant indicates MDL ISIS Sketch file format.
SLN
This constant indicates Tripos Sybyl Line Notation file format.
SMI
This constant indicates canonical isomeric SMILES file format. This is the same as the OEFormat_ISM file format.
UNDEFINED
This constant indicates an unrecognized or undefined file format.
USM
This constant indicates SMILES file format.
XYZ
This constant indicates XMol XYZ file format.