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A Quick Guide to B&S 3.0
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Quick Guide to
Ball & Stick 3.0 Demo
System Requirements
Ball & Stick will run on Macintosh Plus and later models. All features are
fully functional in the demo version with the following limitations:
40 atoms per file and printed pages are superimposed with a banner.
Ball & Stick requires system 6.0.2 or later. For color, system 6.0.5 or later
with 32-bit QuickDraw is recommended. To use the demo movies HyperCard version
2.0 or later is recommended.
Ball & Stick 3.0 is System 7 compatible.
Dealing with HyperCard stacks
When you open the MovieMaker demos, clicking the mouse will start and stop the
animation.
To quit from HyperCard stop the animation and enter
Command Q (Apple/Clover key and Q key at same time).
Installation Procedure
Ball & Stick is easy to install:
1. Lock the original disk (if it is not locked already).
2. Copy all of the files to a folder on your hard disk.
3. Move the folder marked Put contents into system folder into your system
folder. This contains the files B&S.settings and B&S.lib. There are some
sample settings files for you to try in the settings examples folder. The
settings file is used to load the default program settings and atom definitions
at startup time.
Startup
Double-click on the Ball & Stick application icon. You will be prompted to open
a coordinate file. Choose one of the files from the data examples folder. After
you have started the application, you may open files from the file menu. You
may have two files open at one time.
To introduce you to Ball & Stick here are a few operations for you to try.
Rotating the molecule
Select the Transform menu and Rotate(mouse).
Hold down the mouse inside the circle and drag to rotate.
Select Rotate around axis and choose an axis. This rotation may be repeated by
pressing the <enter> key.
Selecting atoms
You may highlight an individual atom by clicking on it with the mouse. To
select more than one, hold down <shift> key while clicking on the atom.
Double-click on a selected atom to display the control window.
This gives quick access to the following commands:
rotation
xy-translation
xz-translation
distance change (2 or more atoms selected)
angle change(3 or more atoms selected)
torsion change (4 or more atoms selected)
+ zoom-in
- zoom-out
Display Model
Change the type of display to whatever you prefer from the Model menu. The
overlay skeleton, labelling and depth-shading may be toggled on and off.
Customizing
Use View menu to customize the background in Change Background. Change to black
by dragging the cursor down the vertical bar. Obtain a full-screen image with
Full Screen option.
The menu bar appears when you click the mouse in the menu region.
Try customizing the size, color and depth of shading of each of your atoms from
the View menu.
Real-time operations
Obtain a stereo image with the Stereo View option. Set up a series of rotations
with the File menu Rotation Animation option. Select the number of rotations
required and set to Screen Only. Select degree of rotation and watch you stereo
image rotate.
Clipping
Return to a single image (by selecting Stereo View again) and rotate the
molecule with the mouse (Transform menu) until it appears end on (looking into
the screen). Select View menu Front & Back Clipping to obtain a set of images
from three angles. Drag the grey areas until you have isolated a small section
of the molecule and select. You will now have a clipped region which you can
easily manipulate. This is useful for dealing with large molecules. To perform
several manipulations without updating the image each time you can first select
Freeze Display.
Build up your molecule
Using the Build menu, you can add new atoms to your molecule or join fragments
from the library. Select a group of atoms (at least 3) first and a box will
appear asking for the bond length, angle and torsion required. A more extensive
library is supplied with the full version and you can add your own structure to
it.
Import files
To see what types of file format you can import go to File, Import and view the
options. Among these you will find the Cambridge Structural Database and
Protein Structure Databank (Brookhaven) formats.