atrad | specify atom radius |
select | selects atoms from the bdf |
bondin | bond information |
projax | defines Newman projection axis |
plotp | plot data |
ptitle [a] | regular title of the plot |
Notes: a. Must be preceded by a plotp line. |
NEWMAN | Option | Code | Arg | Def | |
min. bond distance | bxmn | q | 0.25 | ||
output plot file | nplt | no plot file | |||
plot | n | yes with n plots/frame | 1 | ||
plot width in inches | wdth | q | 11 |
bondin | 1 | label of central atom [a] | |
2- | labels of peripheral atoms | ||
Notes: a. These labels may be followed by an optional symmetry operator n_mmm, where n is the STARTX symmetry number and mmm is the lattice translation based on 555. |
projax | 1 | label of central atom 1 [a] | |
2 | label of central atom 2 [a] | ||
3-4 | labels for next projections | ||
5-6 | etc | ||
Notes: a. These labels may be followed by an optional symmetry operator n_mmm, where n is the STARTX symmetry number and mmm is the lattice translation based on 555. |
plotp | 1 | number of plots per page (1 or 4) [a] | |
2 | width of total plot [a] | ||
3 | height of total plot t | 11 | |
4 | height of chemical symbols | 0.02 t | |
5 | height of angle values | 0.02 t | |
6 | height of characters in subtitle [b] | 0.02 t | |
7 | height of characters in regular title | 0.02 t | |
8- | sequence numbers of Newman projections to be plotted [c] | ||
Notes: a. See also NEWMAN line b. No subtitle or title is plotted when the values of fields 6 & 7 are zero. When a title is requested, the height of the total plot is increased by twice the height of the characters in the title. c. The sequence numbers are in order of NEWMAN plots. |