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Atom order library

  Spock's atom order file lives in $SPOCK/aalib/atom.lib. $SPOCK/lib/atom.lib might arguably be a better place for it, but it might not either! This file is used by spock to resort ``PDB'' files written by such abominations as XPLOR which--surely for low and evil purposes--don't use the proper atom ordering as set forth by the wise prophets of the Protein Data Bank and given unto us in the Holy PDB Format Specification. See also §6.7.1. This file also specifies the default hydrogen bond donors and acceptors. Here's the format, taken from the header of the file:


next up gif contents index
Next: Disclaimer Up: File Formats Previous: Rotamer library

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