Some SCHAKAL 99 Drawings
The drawings shown below have been generated by SCHAKAL 99 as (868 x 626) or as (1736 x 1252) 256 colour TIFF files. Using Micrografx' program Picture Publisher, the images were converted into RGB files, then reduced to a size of (521 x 377), and finally saved as GIF files. Most drawings were generated via clickable pre-defined procedures, some on pre-defined "Fourier" backgrounds. Some hints on how the drawings were generated are given as well (omitting steps like finding a suitable orientation, setting the light, etc.)
Note. Depending on the capabilities of your browser, drawings may look much worse than "in reality".
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| The FeOCl structure (stereo diagram) as black-and white
shaded drawing. Broken-off bond sticks make clear
that the structure doesn't end at the walls of the unit cell.
When loading the data set, the 'EXpand 3' card was used. The drawing was generated on the B/W screen device:
Gen Devc * 1
Trs Expa 1
Gen View 1
{ shade }
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| The quinine molecule as a line diagram. Several patterns
have been used for the different atom types. Label positions have been
determined automatically by the program.--- The drawing was generated
with the { resxn } procedure.
Set Write 15
Set Inscr 4
Mgn Inscr -1.5
Brd Inscr 4
{ pattn / w / 3Dim }
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| A hyperrealistic picture of the same molecule using
pseudo-clouds (atom colours artificial).
Set ColOth 4
Mdf Fourier 8 .3
{ fourr }
{ quick / hyper }
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| A look into a channel within the thiogallate structure
a strong perspective distortion and a fixed scale factor were used:
Set View 12
Mgn Model 3
Set ColOth 4
Mdf Fourier 3 .5
{ fourr }
{ varyZ }
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| The ball-and-stick model of quinine casting its shadow
onto a "plane" composed of atom spheres.
Set ColOth 1
{ fourr / vertic }
{ cupBS / shadow }
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| The (891) surface of CuFeS2, [i.e. the
(110) surface with growth steps]. The left part shows lightness coding
by depth. --- When loading the data set the 'FAce 8 9 1'
and 'BOx 5 .5 4' cards were used.
Gen Cups
Kll Screen 3
Set Xlim .3 1
{ shade }
Set Xlim 0 .3
{ varyZ / uni }
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| A relief-like drawing of iodo-cyclosporin's
space-filling model.
Atoms are labelled by their "height" in pm.
Label positions were determined automatically by the program.
--- The drawing was generated with the { resxn } procedure.
Def $ nn
{ lines / $ / relief }
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| An organic molecule approaching the
surface of an AgCl crystal (designed according to a suggestion made by
Juergen Ketterer, Fribourg, Switzerland).
Mdf Fourier 6 .3
Set ColOth 7
{ fourr }
Xqt Stars
Mdf Shadow 1 100
{ shade }
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| A packing diagram of a tripeptide including hydrogen
bonds (violet, dashed sticks). --- The model was constructed via the
{ cryst / bld+hp } procedure using 'Box 0.1'.
Mgn Model .8
Brd Lines 0
Set ColOth 13 3
Xqt Region ! 1 A
Kil Screen 3
{ varyZ / simple }
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| The ball-and-stick model of a HT superconductor casting its shadow
onto the space-filling model of the same structure. Broken-off bond sticks make clear
that the structure doesn't end at the walls of the unit cell.
Set ColOth 1
{ fourr / horiz }
Set ColOth 6
{ fourr / p / a }
{ cupBS / beside }
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| An organometallic molecule with metal-metal bonds.
Label positions were determined automatically by the program.
Set ColOth 4
Mdf Fourier .7 .5
{ fourr }
{ varyZ }
Mgn Inscr -1.5
Set Inscr 4
Brd Inscr 6 1
Wrt Symbol # (C H
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| A tetrahedral section of the packing of
PS4 units and Pb atoms in
Pb3(PS4)2. --
When loading the data set, the 'Face T' card was used.
Set ColOth 7
{ fourr / ellipt }
Set ColOth 1
{ fourr / p / a }
{ varyZ / cups }
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