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Rotamer library

  Spock's rotamer library lives in the text file $SPOCK/lib/rotamer.lib. Currently this file is created by running the script on Roland Dunbrack's rotamer library from 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.

Jon Christopher
Tue Sep 14 16:44:48 CDT 1999