3.40. NEWMAN: Newman projection of model

atradspecify atom radius
selectselects atoms from the bdf
bondinbond information
projaxdefines Newman projection axis
plotpplot data
ptitle [a]regular title of the plot
Notes:
a. Must be preceded by a plotp line.

NEWMANOption CodeArg Def
 min. bond distance bxmn q  0.25
 output plot file nplt  no plot file 
   plot n yes with n plots/frame1
 plot width in inches wdth q  11

atrad1atom type code 
 2atomic radius in Angstroms 
 3-as above for new atom types 

select1-labels of atoms to be selected from the bdf 

bondin1label 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.

projax1label of central atom 1 [a] 
 2label of central atom 2 [a] 
 3-4labels for next projections 
 5-6etc 
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.

plotp1number of plots per page (1 or 4) [a]  
 2width of total plot [a] 
 3height of total plot t 11
 4height of chemical symbols0.02 t
 5height of angle values0.02 t
 6height of characters in subtitle [b]0.02 t
 7height of characters in regular title0.02 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.

ptitle1title string (max 72 characters) [a]compid
Notes:
a. The string should be centred around columns 43-44.