|
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 |
[a] Must be preceded by a plotp line. |
NEWMAN | Option | Code | Arg | Def | |
min. bond distance |
|
|
0.25
|
||
output plot file |
nplt
|
no plot file | |||
|
|
yes with n plots/frame |
1
|
||
plot width in inches |
|
|
11
|
bondin | 1 | label of central atom [a] | |
2- | labels of peripheral atoms | ||
[a] These labels may be followed by an optional
symmetry operator
|
projax | 1 | label of central atom 1 [a] | |
2 | label of central atom 2 [a] | ||
3-4 | labels for next projections | ||
5-6 | etc | ||
[a] These labels may be followed by an optional
symmetry operator
|
plotp | 1 | number of plots per page (1 or 4) [a] | |
2 | width of total plot [a] | ||
3 | height of total plot
|
11
|
|
4 | height of chemical symbols |
0.02
|
|
5 | height of angle values |
0.02
|
|
6 | height of characters in subtitle [b] |
0.02
|
|
7 | height of characters in regular title |
0.02
|
|
8- | sequence numbers of Newman projections to be plotted [c] | ||
[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. |
ptitle | 1 | title string (max 72 characters) [a] | compid |
[a] The string should be centred around columns 43-44. |