BUNYIP : Search for Additional Symmetry

radii set radius for atom types
assume assume atom types correct
search limit search to symmetry type
complx define moleculat cluster
remove define atom label or atom type not to beincluded in search
align atom labels to be forced to be on the symmetryelement

BUNYIP Option Code Arg   Def
  coordinates used in search clust   cluster coordinates  
    input   use input coordinates  
  print the midpoint table midpt      
  set search tolerance tolc f   0.5A
  allow n sites outside tolerance allow n   0
  co-linearity/centricity threshold close t   0.25A
  quick search fast n n atom matches 10

radii 1 atom-type code  
  2 atomic radius  
  3- repeat as above  

assume 1- atom types assumed correct in symm search all except H

search   Option Code    
    limit search to      
      centre inversion centre  
      axis rotor or screw  
      plane mirror or glide  

complx 1-2 pairs of atom labels of sites connecting a molecular complex  
  3- atom label pairs for additional clusters  

remove 1- atom label, or atom-type code of atoms excluded from the search  

align 1- labels of sites forced to exist on a symmetry element (e.g. site on the mirror plane)