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Chemical Structure Formats
XML-CML a Centre for Chemical Markup Language (CML) Resources
Chemical Markup Language (CML)
ChemDraw Exchange (CDX) [See the Software Developer's Kit]
Chemical Information Exchange (CEX)
Chemical eXchange Format (CXF)
Chemical eXchange Format (CXF)
Crystallographic Information File Format (CIF)
macromolecular Crystallographic Information File (mmCIF)
JCAMP-DX
MacMolecule and PCMolecule file formats (Molecular Ventures, Inc.)
MDL's CTfile Formats - Molfiles(MOL), RGfiles, Rxnfiles, SDfiles(SDF), RDfiles(RDF), XDfiles, and Clipboard.
The Chemical MIME Home Page
MIME Types for Chemistry
I3C: Interoperable Informatics Infrastructure Consortium [Life sciences]
Molecular Information File (MIF): combines SMD, or Standard Molecular Data, and STAR, or Self-defining Text Archive and Retrieval, via object-oriented data descriptors
NCBI ASN.1 Definitions (part of the NCBI Toolkit)
network Common Data Format (netCDF)
NISO (National Information Standards Organization
OMG Life Sciences Research Group
PDB File Format
Protein Data Bank Contents Guide: PDB Atomic Coordinate Entry Description
Protein Information Resource CODATA Sequence Format (PIR)
ROSDAL (Representation of Organic Structure Descriptions Arranged Linearly: Beilstein)
SMILES
Entering SMILES Notations into SRC Estimation Programs
SWISS-PROT home page
Standards and File Formats for Molecular Biology Software
Format Converters

Mol2Mol
ACD/ChemSketch
BABEL ftp site
Corina

 

 

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