Volume 1 Chapter 12 The Help SystemThis chapter describes two different ways in which individual users may customise QUEST.
The first, using QUEST Initialisation files, can save you from repetitively issuing the same QUEST instructions every time you run the program.
The second, using a Configuration file, allows you to change the colour definitions used by QUEST.
A QUEST initialisation file is simply a file containing one or more QUEST instructions which are read in automatically by QUEST every time the program starts up.
The QUEST Initialisation file is read in on unit 33. Users of the VMS and UNIX implementations will find a description below, explaining how their system decides which file to use. Users of other implementations should consult the person who installed the software.
The main advantage of Initialisation files over the QUEST INIT instruction is that individual users can construct their own sets of instructions, without needing to edit, recompile and relink QUEST.
Example instruction sets (typical uses) follow:
COMMENT Always use Tektronix 4200 terminal, mouse and menus. TERM T420 DEVICE MOUSE MENU FULL
COMMENT No disorder, RFACTOR .LE. .075, Perfect match COMMENT Atom coords present SCREEN 35 85 89 153
For example, you can type:
You can define colours either by name, or by their Red, Green and Blue components. (See below for a list of colour names known to QUEST).
The full text of the default QUEST Configuration file is reproduced below.
Characters following exclamation marks (!) are comments, provided to explain the contents of the file. Blank lines are ignored.
Tektronix 4100 Series terminals can only display 8 colours (black and 7 others), so only colours 0 through 7 are of relevance to these terminals.
Tektronix 4200 Series terminals and the CCDC SG implementation, however, make use of 16 colours
(0 through 15). All these are of relevance on such terminals.
In this first implementation of colour configuration files you can redefine the choice of colours used by QUEST, ie. its "colour map".
Throughout the QUEST source code, colours are referred to by number. Changing the QUEST Configuration file effectively just changes the colour of a particular number.
For example, if you change colour number 2 (originally RED) you change the colour used to highlight menu buttons in the input menus, the colour used to highlight 2D hit chemical fragments in the 2D hit display, the colour used to display oxygen in the 3D display, etc.
Future versions of QUEST may give you the flexibility to assign colour numbers for particular functions, but in the meantime there are many reasons why you might want to completely redefine one or more colours.
Example 1
If your terminal does not display dark blue very clearly against a black background you could edit your Configuration file and change colour 4 to LIGHTBLUE. Then, every time QUEST would have previously drawn dark blue, it will now use your new definition - LIGHTBLUE.
4= BLUE !Colour 4 - Originally, BLUE
Changed to
4= LIGHTBLUE !Colour 4 - Originally, BLUE
Example 2
Some Tektronix emulators have the ability to reverse the screen background colour so that black lines and text are displayed on a white background, instead of the reverse.
You might want to use this idea on a real Tektronix terminal or on a Silicon Graphics console running QUEST.
To do this, you would change the definitions of colours 0 and 1, as follows:
0= BLACK !Colour 0 - Background colour when QUEST is in graphics mode 1= WHITE !Colour 1 - Originally, WHITE.
Changed to:
0= WHITE !Colour 0 - Background colour when QUEST is in graphics mode 1= BLACK !Colour 1 - Originally, WHITE.
The QUEST Configuration file is read in on unit 32. Users of the VAX, Silicon Graphics and SUN implementations will find a description below, explaining how their system decides which file to use. Users of other versions should consult the person who installed the software at their site.
For example, you can type:
For example, you can type:
Colours are defined by components of Red, Green and Blue. The component values are in the range 0-255.
Colour Name Red Green Blue Aquamarine 127 255 212 Azure 240 255 255 Beige 245 245 220 Black 0 0 0 Blue 0 0 255 BlueCyan 0 128 255 BlueMagenta 128 0 255 Brown 165 42 42 Cyan 0 255 255 DarkGray 85 85 85 DarkGreen 0 100 0 DarkGrey 85 85 85 DarkOrange 255 140 0 DarkViolet 148 0 211 DeepPink 255 20 147 DimGray 105 105 105 DimGrey 105 105 105 ForestGreen 34 139 34 Gold 255 215 0 Gray 192 192 192 Green 0 255 0 GreenCyan 0 255 128 GreenYellow 128 255 0 Grey 192 192 192 Lavender 230 230 250 LightBlue 173 216 230 LightCyan 224 255 255 LightGray 170 170 170 LightGreen 152 251 152 LightGrey 170 170 170 LightPink 255 182 193 LightYellow 255 255 224 LimeGreen 50 205 50 Magenta 255 0 255 Maroon 176 48 96 MediumBlue 0 0 205 MediumPurple 147 112 219 NavyBlue 0 0 128 Orange 255 128 0 Pink 255 192 203 Purple 160 32 240 Red 255 0 0 RedMagenta 255 0 128 RoyalBlue 65 105 225 SkyBlue 135 206 235 SpringGreen 0 255 127 Tan 210 180 140 Turquoise 64 224 208 Violet 238 130 238 White 255 255 255 Yellow 255 255 0
! COLOUR DEFINITIONS FOR QUEST GRAPHICS ! Items 0-15 define the "Colour Map" used by QUEST. The numbers specify ! how much RED, GREEN and BLUE should be used for each colour. ! The following numbers of colours are available: ! Tektronix 4200 Series: Colours 0-15 ! Tektronix 4100 Series: Colours 0-7 ! Silicon Graphics : Colours 0-15 ! The values must lie in the range 0 through to 255. ! Users of Tektronix 4100 and 4200 Series terminals should note that ! these terminals have only a limited sensitivity to changes in Red ! Green and Blue components. Values seem to be rounded to the nearest ! multiple of 85 (on a scale of 0-255) ! You can either edit the RED, GREEN and BLUE components of the colours, ! or you can replace all three numbers by a single word. QUEST contains ! the definitions of 51 named colours so you might find it easier to use ! names instead. ! (see manual for the list of available colours, or type HELP COLOURS in QUEST) 0= BLACK !Colour 0 - Background colour when QUEST is in graphics mode 1= WHITE !Colour 1 - Originally, WHITE. 2= RED !Colour 2 - Originally, RED. Used by QUEST to highlight menu items. 3= GREEN !Colour 3 - Originally, GREEN. 4= BLUE !Colour 4 - Originally, BLUE 5= CYAN !Colour 5 - Originally, CYAN 6= MAGENTA !Colour 6 - Originally, MAGENTA 7= YELLOW !Colour 7 - Originally, YELLOW. Used by QUEST to display the GRID. 8= ORANGE !Colour 8 - Originally, ORANGE 9= 128 255 0 !Colour 9 - Originally, GREENYELLOW 10= 0 255 128 !Colour 10 - Originally, GREENCYAN 11= 0 128 255 !Colour 11 - Originally, BLUECYAN 12= 128 0 255 !Colour 12 - Originally, BLUEMAGENTA 13= 255 0 128 !Colour 13 - Originally, REDMAGENTA 14= 85 85 85 !Colour 14 - Originally, DARKGREY 15= 170 170 170 !Colour 15 - Originally, LIGHTGREY