4 - Per ARU
Option 1:
Instruction:
COLOR BLACK/RED/GREEN/BLUE/YELLOW/ORANGE/VIOLET/BROWN
Option 2:
Color assignment is done by default on the basis of element-type
The default setting may be changed with:
COLOR TYPE atom-type col (atom-type col ..)
Color is switched on/off with
COLOR (on/off)
or implicitly with
STRAW COLOR
This option may be combined with the 'Black-and-White' Patterns:
BWC (on/off)
Option 3:
Residues (i.e. unconnected species) can be displayed with differing colors with:
COLOR RESD
Option 4:
ARU's may be given distinguishing colors with instructions such as
ARU red 1555.01 1556.01
ARU green 1565.01
ARU-related colors are displayed with:
COLOR ARU (on/off)
or by clicking the 'col ARU' menu field
This option may be combined with the 'Black-and-White' Patterns:
BWC (on/off)
1.4.6.23 - DECORATION TOGGLE
The boundary information (title, angles etc) may be switched (on/off) by clicking on
DECORATION.
1.4.6.24 - Graphics (META, POVRAY, RASMOL)
PLATON/PLUTON will generate by default an Encapsulated PostScript file of the image
displayed on the Image Canvas by clicking on the leftmost box button (indicated with
'EPS'). The Encapsulated PostScript default may be changed into HPGL or TEK4014 with a
code selection button on the PLATON opening window, or with one of the keyboard
instructions
set meta HPGL.
In the PLUTON mode, there are two interfaces available to other molecular graphics
programs.
- Clicking on 'Pov' will generate a file '.pov' suitable for the raytracing program
POVRAY.
POVRAY will be executed when implemented.
- Clicking on 'Ras' will generate a 'PDB'structured '.ras' file suitable for the Molecular
Visualisation Program RASMOL. RASMOL will be executed when implemented.
The executables 'povray' and 'rasmol' are assumed to be globally accessible. Alternatively, a
path may be given in environment variables.
e.g. 'setenv POVEXE '/usr/local/bin/povray'
'setenv RASEXE '/usr/local/bin/rasmol'
1.4.6.25 - Reset & END BUTTONS
RESET return the display to a default STICK model of the molecule(s).
Return to main PLATON menu with
END
1.4.7 – PLUTON SUB-MENU #5 (Aux)
1.4.7.2 – MENU OFF
Option to work without menu. Subsequent input via the terminal window including the instruction
MENU on to return to the menu options.
1.4.7.3 - PERSPECTIVE
Manipulate parameter that determines the perspective. Clicking in the left most box gives
infinite perspective, the others 10, 20, 30, 40, 50 & 60 (cm).
1.4.7.4 - ORGANIC/INORGANIC TOGGLE
Different Radii sets are used for Organic/Inorganic Structures No ring search is done by
default for inorganic structures. The default setting is triggered by the presence/absence of
an organic carbon atom (i.e. C & H present). Example: The default for NaCl will be
Inorganic. This will avoid the generation of infinite structures in the subsequent structure
analysis.
1.4.7.5 - DispAllLab
By default, a label will not be drawn for an atom when the automatic positioning function
cannot find a proper place. This Toggle overrules this feature by plotting a label anyway.
The label can then be moved manually to the best alternative position.
1.4.7.6 - LABEL FULL /NUM
Toggle for the display of complete atom labels for C & H atoms or just the numerical part.
1.4.7.7 - Label-Alias Toggle
PLATON sets some restrictions on atom labels. When a label is given in a CIF that conflicts
with those rules, an alias (terminated with a #) is generated. By default, the original labels
are presented on output and graphics where ever possible. With this toggle ON (RED), the
aliases used in PLATON are given.
1.4.7.8 - Uiso
This toggle switches between covalent radii and Uiso (not sqrt(Uiso)) assigned to atoms for
display. This function can be useful to identify mis-assigned atom types in the process of a
structure determination. N
ote: This option is available only for a PLUTON (native) run on a
shelxl.res file with isotropic atoms (i.e. 6 numbers per atom).
1.4.7.10 – Overview Keyboard Instructions
Display of all available keyboard instructions.
1.4.7.11 - AUTO-PLOT TOGGLE
Auto-plot toggle. In general a drawing will be refreshed with each instruction unless Auto-
Plot is set to OFF.
1.4.7.12 - Overlap SHADOW
This feature provides for a 'shadow' at the bond/atom connection. The default width may be
changed by either clicking in one of the boxes or via the keyboard with the 'OVERLAP
SHADOW' instruction.
1.4.7.13 - PovrayResolution
Select non-default Povray Resolution based on click position. Left click position gives
default resolution (partly related to the screen resolution). The next 5 click boxes (n = 1, 2,
3, 4, 5) give a resolution of n x (1024 x 768).
1.4.7.14 – HORS/VERT RATIO
Clicking in the left box gives a plot in a square window and clicking in the right box a
rectangular window.
1.4.7.15 - PovrayStyle
Select one out of the 5 Povray Color Styles.
1.4.7.16 – Parentheses Toggle
Toggle for parentheses (ON/OFF) on labels shown in the PLUTON plot.
1.4.7.17 - PORTRAIT
Toggle for display in the PORTRAIT orientation.
1.4.7.18 - REVERS B&W Toggle
Toggle to change the Black Background into White. This feature might be useful for taking
screen captures for printing.
1.4.7.19 - PLATON X-LineWidth
Toggle for (re)setting the minimum line width for X-Window Graphics Display. This option
may be useful depending on the default X-server line width.
