End of plot instructions for this data set. The next data set following an ENDS card is loaded when the SPF-file contains multiple data sets. The program terminates when no data are left; information on the produced files will be shown. Direct termination is achieved with QUIT or STOP instructions.
HELP
JOIN/LABEL/LIMITS/LIST/MOLES/PLOT/RADII/SEGMENT/SIZE/
STYLE/SPGR/VIEW)
This gives on-line help on the specified type of instructions. In particular HELP
GRAPHICS will inform on the way the graphics is implemented. HELP SPGR gives a
listing of all the space group names known to the program. HELP ALL gives the full list
of available instructions.
Example: HELP STYLE INORG
Instruction modifies defaults to suitable values for inorganic compounds.
ORGA
Set default parameters for type organic structure.
PLOT
This produces a drawing using the information set up by the previous instructions on either the current graphics medium (default) or on the specified medium (Display, Plotter or Meta-file). The default medium is either the one previously set or the display by default. An automatic JOIN RADII UNIQUE EXPAND instruction is executed when no previous JOIN instruction was given and a VIEW MIN instruction is case of no previously given VIEW instruction. The MOGLI option may be used to generate DGE and OBY files to be used to view the molecule in 3D with the PSSHOW program of the MOGLI package on a PS300 display (use PLOT CAL MOGLI to generate the files without display or plotter output). The special instruction PLOT CAL 3 will generate a file with full 3D vector information for a ROD-style plot, independent of previous parameter settings.
QUIT
This gives immediate exit from the program.
RENAME
RESET
Before any plotting instructions are read, various default parameters for plotting must be set. This is automatically done at the beginning of the program, but can also be done at any time by use of RESET.
SAVE
This instruction may be used to save instructions to be used on other data sets as well. This feature is useful when examining a series of structures taken from the crystallographic data base. All instructions following a SAVE instruction until an END are saved.
SEGMENT
Plotstep and substep are parameters that determine the accuracy of the plot, the speed and the computing time needed for the plot. Testing for overlap is done in steps of size plotstep. When a problem is encountered the testing will be redone in steps of size plotstep/substep. The default values are 0.1 cm and 4 steps respectively. For accurate plots, in particular on either the plotter or the meta-file, values of 0.01 cm and 1 are recommended for the above parameters.
SET
This instruction is not meant for general use. It provides a facility to modify internal parameters, in particular those with no equivalent (sub)keyword.
STOP
This gives an immediate EXIT from the program.