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CaGe V0.3

RasMol

RasMol is an external program which is very useful for displaying three--dimensional representations of graphs. There are three way to use the various options of RasMol:
  • RasMol Menu:
  • RasMol defaults: At the bottom of the "Output panel"--window you can find the "RasMol defaults"--button. Pressing it opens the "RasMol Defaults"--window:

    CaGe is able to store some default values for RasMol e.g background color. The values are stored for each generation program seperatly ! Choose some values by the slides and the checkbuttons. Use the "Show"--button to send these values to RasMol. You can save the new default values or load the old values with the "Reset"--button.

  • Command Line Interface:You can use all options and commands of RasMol via the Command Line Interface. Let us look at one example.
    You select the HCgen generation program and choose 60 C-Atoms 10 H-Atoms and 5 Pentagons. In your xterm the following lines will appear :

    bash$ cage
    Welcome to CaGe V0.3
    Please wait. In a few seconds the frame of the
    main window will appear.
    RasMol Molecular Renderer
    Roger Sayle, August 1995
    Version 2.6
    [8bit version]
    RasMol> rasmol
    ->HCgen 60 10 5 gap 4 stdout pid
    C: 60 H: 10 hexagons: 21 pentagons: 5
    Randlaenge: 19 Innere Knoten: 41
    Bisher: 0 Strukturen
    aufgabe:
    v:0 d:1 v:0 d:0
    Anfang konstruktion: C: 25 H: 7
    Bisher: 10 Strukturen
    aufgabe:
    v:0 d:0
    Anfang konstruktion: C: 41 H: 9
    83 Strukturen

    Total generation time: 0.2 seconds

    Now you press "Return" and the Command Line Interface is active. This is indecated by:

    RasMol>

    You can use the Command Line Interface every time after a new graph arrived. For more details see RasMol Manual

    Before:
    After:

    RasMol> set hydrogen true
    RasMol> select hydrogen
    10 atoms selected!
    RasMol> color [0,255,0]
    RasMol> select not hydrogen
    60 atoms selected!
    RasMol> color [0,0,255]
    RasMol>