PIG : Display and manipulate model

peaks input peak site parameters
radii reset default atom radii
preset reset default plot parameters
complx define molecular complex
ortctl ortep control line prefix

PIG Option Code Arg   Def
  Displayed sites clus   optimally clustered  
    input   coordinates as input [a]  
  add symmetry sites [b] sext con extend connected input list  
    sext all extend all site symmetry elements  
    nose   do not add to input  
  new built H atoms nolink   don't add link lines to ADDATM  
  cluster packing pack n n=0 no packing n=1
        n=1 smallest combined COG.  
        n=2 closest to COG of largest cluster  
        n=3 nearest contact to largest cluster  
  create ORTEP diagram ort   from screen contents at PIG exit  
  BUNYIP data buny   display symmetry from .bun  
  CRISP data msol   show structural solutions . sol  
  cartesian coordinates labx   full atom labels in . xyzfile  
  cartesian coordinates rotx   rotated to current view .xyzfile  
  graphics display dbuf   double buffering  

[a] input atom sites mode is forced for more than 500 atoms (clustering is switched off)

[b] The default is sext if Z (from the STARTX celmol line) is less than the number of symmetry positions. Otherwise nose is the default.

peaks Option Code Arg   Def
  max number peaks used numb n input n peaks all
  peak height min/max plim p q   0 1000
  peak bond radius prad r   max atom types
  peak proximity cutoff plap   in Ĺ 0.5

preset Option Code Arg   Def
  list Cartesian coordinates cart      
  max bonds per atom bond n   10
  set atom type colour colr a n a =atomtype; n =colour  
    noco   no colour  
  molecules in cell full   molecules complete  
    mcut   mols cut at cell edge  
  extent of colour shading shad d between 0.0 - 1.0 0.5

radii 1 atom type symbol (must match atom type in bdf)  
  2 atom type radius in Ĺ (supersedes bdf value)  
  3-4 same as for fields 1-2. etc  

complx 1-2 labels of two sites in separate molecules that should be as close as possible to define a molecular complex  
  3- additional label pairs if needed  

ortctl [a] 1- any valid ORTEP instruction line to add to or replace those automatically generated by PIG  

[a] Up to 15 a maximum of 15 ortctl instructions can be used.


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