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Access SDF/MOL formatted CCD files from the PDB archive

11/27 wwPDB News

PDB Chemical Component Dictionary (CCD) files with ideal geometries are now provided in SDF/MOL format at the PDB archive. Users can download individual CCD files in SDF/MOL format from the PDB archive at https://files.wwpdb.org/pub/pdb/refdata/chem_comp/.

In addition, a concatenated CCD file in SDF/MOL format is provided at https://files.wwpdb.org/pub/pdb/data/monomers/components-pub.sdf.gz and accessible from the wwPDB website at http://www.wwpdb.org/data/ccd.

Please contact [email protected] with any questions.

<I>Chemical Component Dictionary files with ideal geometries in SDF/MOL format are now available from the PDB archive</I>Chemical Component Dictionary files with ideal geometries in SDF/MOL format are now available from the PDB archive

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