Tables, Reports and Images

pictPS

filename.ps

Generates a post-script file of what is visible in the molecule display.

• -atom_outline_color - the colour of the atom outline, used for extra 3D effect for the intersecting objects [0xFFFFFF]
• -atom_outline_oversize - the size of the outline [5]%
• -bond_outline_color - same as for the atom, can be changed to black to highlight bond boundaries
• -bond_outline_oversize - the size of the outline [10]%
• -color_fill: Fills the ellipses with colour.
• -color_bond: Bonds will be in colour.
• -color_line: Lines representing the ellipses will be in colour.
• -div_pie: number [4] of stripes in the octant
• -lw_ellipse: line width [0.5] of the ellipse
• -lw_font: line width [1] for the vector font
• -lw_octant: line width [0.5] of the octant arcs
• -lw_pie: line width [0.5] of the octant stripes
• -p: perspective
• -scale_hb: scale for H-bonds [0.5]

The bond width is taken from the display. This can be changed with brad

pict

filename.ext [n=2]
[-pq]

Generates a bitmap image of what is visible on the molecule display. n Refers to the size of the output image. If n is smaller than 10, it refers to a multiple of the current display size, if it is larger than 100, it refers to the width of the image in pixels.

• ext {png, jpg, bmp}. png is best.
• -pq: print quality

picta

filename.ext [n=1]
[-pq]

A portable version of pict with limited resolution (see explanation for n above), which is OS and graphics card dependent. This may not be stable on some graphics cards

• -pq: print quality
• -n: as for 'pict'

picts

filename.ext [n=1]
[-a=6]
[-s=10]
[-h=n*(screen height)]

Creates a 'stereo' picture with two views taken with the +/- a option value rotation around y axis and placed onto one picture separated by s % of a single projection width.

• -a: half of the view angle
• -s: separator width in %
• -h: the height of the output, by default equals to current screen height multiplied by the given resolution

label

label [atoms]

Adds labels to all/given/selected atoms and bonds. These labels can be moved by pressing the SHIFT key while holding down the left mouse button and edited by double clicking on them.

• -type: {subscript, brackets, default}, the type only affects the PostScript labels and not applicable to the raster pictures