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Spock's rotamer library lives in the text file
$SPOCK/lib/rotamer.lib. Currently this file is created by running the
script dunbrack.sh on Roland Dunbrack's rotamer library from
http://www.cmpharm.ucsf.edu/ dunbrack, which is also included in the
spock distribution for reference. Users may substitute their own favorite
rotamer library for spock's provided they follow the spock format: six space
or tab delimited text columns. Column 1 is the three-letter amino acid
code. Column 2 is the frequency of the rotamer, and the remaining 4
columns are for for the chi1-chi4 angles, with 0.0 for undefined angles.
The data should be sorted such that the most common rotamer is listed
first, and all rotamers for a given amino acid should be together.
Tue Sep 14 16:44:48 CDT 1999