[Biojava-l] Chemical component files

Steve Darnell darnells at dnastar.com
Wed Sep 29 04:29:00 UTC 2010


I would like to install a local instance of the Chemical Component
Dictionary (CCD) for use with BioJava's chemical component
functionality.  The wwPDB distributes the CCD as a single file; however,
ChemCompGroupFactory.java and related classes expect individual cif.gz

The individual cif.gz files are downloaded on-the-fly from
http://www.rcsb.org/pdb/files/ligand/, but they are not discoverable
from a web browser.  Where can I find the individual files that form the
CCD?  Am I overlooking a utility to use the single file version?

Best regards,

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