[htdig] External parsers for htdig: chemical files

Rzepa, Henry (h.rzepa@ic.ac.uk)
Tue, 1 Jun 1999 14:08:49 +0100

We have written some fairly simple parsers for tokenising two types
of chemical file most frequently deployed on Web sites, namely
the Brookhaven PDB format and the JCAMP spectral format.
Both contain 4-6 fields worth tokenising, including author, title,
remark, etc etc.

The archive is at


We include source in the OpenSource spirit, and would only ask
that if anyone improves/adds to these, we would welcome the new
source back. We think we might add VRML fairly soon, and perhaps
MDL Molfiles, but other suggestions are most welcome.

Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY;
mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804.
URL: http://www.ch.ic.ac.uk/rzepa/
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