HappyDoc Generated Documentation ./Categorizer

. / Categorizer 

Categorize atoms into solvent, ligand, etc. categories

The categories and criteria are:

solvent
The most numerous "small" (10 atom or less) single-residue chain that isn't a singleton atom of atomic number 9 or more (florine or heavier) and that occurs at least 10 times. Also, all singleton atoms of atomic number 8 or less.
ions
Singleton atoms not categorized as solvent.
ligand
Chains smaller than 1/4 the longest chain of the model that aren't solvent or ions and less than 10 residues long.
main
Remainder of chains.
Functions   
  categorize 
categorize (
        trigger,
        justdoit,
        bonds,
        )
Classes   

This document was automatically generated Thu Nov 15 14:09:12 2007 by HappyDoc version 3.0.a1