|
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 | |||
|
use input coordinates | ||||
print the midpoint table |
|
||||
set search tolerance |
|
|
0.5A
|
||
allow n sites outside tolerance |
|
|
0
|
||
co-linearity/centricity threshold |
|
|
0.25A
|
||
quick search |
|
|
atom matches |
10
|
search | Option | Code | |||
limit search to | |||||
|
inversion centre | ||||
|
rotor or screw | ||||
|
mirror or glide |
complx | 1-2 | pairs of atom labels of sites connecting a molecular complex | |
3- | atom label pairs for additional clusters |