| 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 .xyz file | |||
| cartesian coordinates | rotx | rotated to current view .xyz file | |||
| graphics display | dbuf | double buffering | |||
| Notes: 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 Å | 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 Å (supersedes bdf value) | ||
| 3-4 | same as for fields 1-2. etc |