![[Hydrogen graphic]](reduce.jpg)
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Reduce is a program from the laboratory of Jane and David Richardson for adding hydrogens to a Protein Data Bank coordinate file.
Hydrogens are added in standardized geometry with optimization of the orientations of OH, SH, NH3+, Met methyls, Asn and Gln sidechain amides, and His rings. Both proteins and nucleic acids can be processed. HET groups can also be processed as long as the atom connectivity is provided.
Note that the program uses a slightly modified version of the heteroatom connectivity table published by the PDB.
You can download your own version for your chosen architecture from the Richardson website.
To use in the Core on a Linux or SGI workstation, simply type:setup reduce
Type "reduce" for usage syntax, or check the current README.
Word JM, Lovell S.C, Richardson JS, and Richardson DC. (1999). J. Mol. Biol. 285, 1735-1747.
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