Fritz: All Fritz/All Fritz.zip/All Fritz/FILES/EDUCICAL/CRYSTAL.LZH/MANUAL.DOC

Text File | 1988-09-07 | 33KB | 775 lines

                            INDEX
                   CHEMICAL
              1.0) Introduction                  2
              1.1) Starting Chemical             2
              1.2) Viewing Files                 2
              1.3) Setup Command                 3
              1.4) Move Command                  3
              1.5) Group Command                 3
              1.6) File Command                  3
              1.7) Using a Mouse                 3
              1.8) Printing                      3
              1.9) Examples                      4

              2.1) Covalent Bonding              4
              2.2) s Atomic Orbitals             4
              2.3) p Atomic Orbitals             5
              2.4) d Atomic Orbitals             5
              2.5) Molecular Orbitals            6
              2.6) Bonding                       6
              2.7) Size of Atoms                 6
              2.8) Ions                          6
              2.9) Electronegativity             6
              2.10) sp, sp2, and sp3 Hybrids     7
              2.11) Flat Ring Structures         7
              2.12) sp3 Rings                    7
              2.13) d2sp3 Hybrid                 7
              2.14) W and R commands             7
              2.15) Data File Structure          8

                   CHEMVIEW
              3.1) Starting Chemview             8
              3.2) Commands                      8

                   CRYSTAL
              4.1) Starting Crystal              9
              4.2) Examples                      9
              4.3) Editor and Help File          9
              4.4) Ionic Crystals                9
              4.5) Cubic Cell                    9
              4.6) Lattice Cells                10
              4.7) Placement of Atoms           10
              4.8) Atom Scale and Color         10

                   APPENDIX
                A) Commands for CHEMICAL        10
                B) Commands for CRYSTAL         12
                C) Editor for CRYSTAL           13
                D) Mouse Drivers                14

CHEMICAL, CHEMVIEW, and CRYSTAL are public domain programs and may be
freely copied and distributed. The latest version with source code is
available from the author for $20 ($10 for registered users). The source
code is not for public distribution.

    Larry Puhl
    6 Plum Court
    Sleepy Hollow, Ill. 60118

1.0) Introduction :

     CHEMICAL is a molecular modeling program to aid in the formation of
three dimensional pictures of chemicals. Atoms are selected from a
Periodic Table (using the A command)  and electron orbital information
retrieved. The Atoms are then bonded (using the B command). The chemical
is displayed as it is being constructed. The chemical can be viewed from
different directions by using the up and down cursor keys and the V
command. If desired, the Hybrid and Ionize commands can be used to alter
the orbitals before bonding. Atoms can be bonded into groups, then the
groups bonded to other groups to make large chemicals. CHEMICAL requires
640K bytes of RAM and a CGA or EGA monitor. You may need to eliminate RAM
resident programs to run this program. CHEMICAL is written in Turbo
PROLOG Ver. 2.0.

     CRYSTAL is used to build crystal structures. English commands are
used to describe the structure. The easiest way to build a new structure
is to start with a similar structure. The necessary changes can then be
made using the built in editor. CRYSTAL requires an EGA monitor. CRYSTAL
is written is Turbo PROLOG Ver. 2.0, PROLOG Toolbox, and Turbo C.

     CHEMVIEW is a companion program that shows 3-dimensional animation of
the models generated with CHEMICAL. CHEMVIEW requires an EGA board and
monitor. CHEMVIEW is written in Turbo PROLOG Ver. 2.0 with the graphics
routines written in Turbo C. To use CHEMVIEW simply start the program and
select the file desired.

1.1) Starting CHEMICAL

    Start CHEMICAL by entering CHEM at the DOS system prompt. The
highlighted selection is the highest available graphics mode. Use the CR
key to select this mode. When using a CGA monitor the system program
GRAPHABL.COM should be run prior to starting CHEMICAL.

    Other graphics modes are selected by using the cursor keys. Modes with
16 colors use color to distinguish between different types of atoms. Modes
with less than 16 colors label the atoms.

1.2) Viewing Files

    Select the FR command by entering the letters F and R. Or use the
cursor and CR keys to select the File command, then Read sub-command.
Select on of the files listed using the cursor and CR keys. The screen
will then change to graphics mode and show the selected molecule.

   The molecule can be viewed from any of six directions. The view shown
is indicated along the right of the screen each time a new view is shown
(in CGA 320x200 mode the view is shown at the top). The view direction can
be changed by using the up/down cursor keys. The new view is not shown
until a (V)iew command is issued. Files read with the FR command return to
the view active when the file was written.

1.3) Setup Commands
    The Setup commands turns display options on and off. The options
include Bond Lines, Color Scale, Expanded View, Grid, and atom numbering.
When a file is read, using the FR command, the setup status is set to the
state that existed when the file was written. See Appendix A for a more
complete description of the setup commands.

1.4) Move Commands

    The Move commands are used to modify the color, rotation, or position
of atoms. For example the MX, MY, and MZ commands rotate a molecule a
specified number of degrees around the coresponding axis. These commands
change the coordinates of each atom, but do not change the view direction.

    The MS command is used to rotate around the axis between two atoms.
The MA command is used to manually move an atom or group. See Appendix A
for a list of the move commands.

1.5) Group Command

    Each data file contains the information for a group of atoms. The
group command is used to combine files into a larger chemical. One atom
from a new group is selected to be attached to an atom of another group.
The new group can be placed in front, back, right, left, top, or bottom of
another group. The new group can be rotated before it is attached.

1.6) File Command

    The file command is used to read/write chemical files via the FR and
FW commands. The FH and FT commands show help and tutorial files. The FB
commands shows the data file for the chemical currently being built.

   The FM command minimizes the size of a file by deleting unused
orbitals. Once this is done, no additional bonds can be made.

   The FS command returns to the DOS operating system. Return to CHEMICAL
by entering EXIT. The FA commands calls CHEMVIEW.

1.7) Using a Mouse

    A mouse can be used to control CHEMICAL by loading a mouse driver that
programs the mouse to simulate key depressions. A three button mouse
should be set up so that the buttons simulate the CR, esc, and Space keys.
Movement of the mouse should simulate cursor keys. The mouse driver must
be loaded before CHEMICAL is started. See Appendix D for details.

1.8) Printing

    Printouts can be made using a graphics package such as Doctor Halo III.
These packages provide a screen capture option. The screen capture driver
must be loaded before CHEMICAL is started.

    In the CGA mode printouts can be made if the GRAPHICS command is
loaded before CHEMICAL is started. Then pushing the PrtSc button on the
keyboard will print the screen.

1.9) Examples

 Example 1: Make Water Molecule

1) Use the A command to show periodic table.
2) Select O,H, and H using the cursor keys and Enter Key.
3) Use esc to exit A command.
4) Select the Bond Command.
5) Select O and H .
6) Select shared (default) bond.
7) Select one of the O-H bonds.
8) Use the Bond Command to make the other O-H bond. The O and the
   unused H must be selected.

 Example 2: Benzene C6H6

  1) Clear previous entries with (C)lear.
  2) Enter 6 Carbon Atoms using (A)tom.
  3) Select the sp2 hybrid for each Carbon Atom using (H)ybrid command.
  4) Use the Up/Down cursor key to set view to TOP.
  5) Bond Atoms 1-2, 2-3, 3-4, 4-5, 5-6, 1-6 (highlighted bond).
  6) Make a pi bond between atoms 1-2, 3-4, and 5-6 using (B)ond.
  7) Enter 6 Hydrogen Atoms using (A)tom.
  8) Bond each hydrogen atom to a carbon atom.

Example 3) [Co(NH3)6]3+ Coordination Compound

  1) Select Co and six N atoms.
  2) Select the +3 ionization and d2sp3 Hybridization of Co using the
     ionize and the Hybrid commands.
  3) Select the sp3 Hybrization of N using the Hybrid command.
  4) Bond the six d2sp3 orbitals on Co to the six N atoms. Use the
     Dative Bond.
  5) Select 18 hydrogen atoms.
  6) bond the hydrogen atoms to the six nitrogen atoms


2.1) CHEMICAL - Covalent Bonding

     Electrons tend to occupy certain locations around the nucleus of an
atom. These locations are classified into Atom Orbital types based on
their directional characteristics. The Atomic Orbitals involved in
covalent chemical bonding are called the s, p, and d Atomic Orbitals.

2.2) s Atomic Orbital

    The s Atomic Orbital has no directional preference. The s Atomic
Orbital closest to the nucleus is labeled 1s. The 1s Atomic Orbital is the
lowest energy orbital. Electrons fill the lowest energy orbitals first.
Hydrogen has only one electron, which occupies the 1s orbital, since this
is the lowest energy orbital possible.

    To demonstrate filling the 1s orbitals select the first four atoms
from the periodic table using the A command. The atoms are selected by
using the cursor keys to highlight the desired atom, then depressing the
ENTER key. Then exit the atom selection mode by depressing the ESC key.
Next select the Bond command. The following list should be displayed:

               1  H  1s1,
               2  He 1s2,
               3  Li 2s1,
               4  Be 2s2,

    The left number indexes the atom selected. Next is the symbol for the
element selected. The next sequence of symbols gives the orbital name
followed by the number of electrons in that orbital. Only the orbitals
involved in chemical reactions are shown.

    Electrons tend to fill the lowest energy orbitals first. Therefore,
the 1s orbital is filled before the 2s orbital.


2.3) p Atomic Orbital

    There are three p atomic orbitals: p(x), p(y), and p(z). Each of these
is dumbbell shaped, and extends along the axis indicted in brackets. The
first p atomic orbital is 2p and is higher in energy than the 2s orbital.
This can be demonstrated by listing the following atoms (clear the screen
using the C command first):

      1   B  2s2,2p(x)1,
      2   C  2s2,2p(x)1,2p(y)1,
      3   N  2s2,2p(x)1,2p(y)1, 2p(z)1
      4   O  2s2,2p(x)2,2p(y)1, 2p(z)1
      5   F  2s2,2p(x)2,2p(y)2, 2p(z)1
      6   Ne 2s2,2p(x)2,2p(y)2, 2p(z)2

    Notice that all the p atomic orbitals are filled with one electron
before two electrons can occupy any orbital.

    The directional characteristics of the p orbital can be demonstrated
by bonding hydrogen (H) to each of the three orbitals of nitrogen (N).
Clear the screen, then select one N and three H atoms. THen use the Bond
command. First select N by using the cursor keys, then push the Enter key.
Select H the same way. Three bonds type choices are then given. Select the
default bond type by pushing the enter key (The default selection is the
one that is highlighted when the window is first opened). A new window will
then give the bond choices. Notice each N orbital placed the H atom in a
different direction.

2.4)  d Atomic Orbitals

    The d atomic orbital has five directional types. The names for these
orbitals are: d(xy), d(yz), d(xz), d(x2 - y2), and d(x2). The names
correspond to the directional characteristics of each orbital. CHEMICAL
uses the symbols ',`,^,~, and " to distinguish between the five d atomic
orbitals.

2.5)   Molecular Orbitals

    Atomic Orbitals from two atoms can combine to form Molecular Orbitals,
the electrons shared (covalently) between the two Atoms. Molecular
Orbitals replace the Atomic Orbitals. Molecular orbitals are either
Bonding or Anti-Bonding. The Bonding Orbitals are lower energy and are
more commonly used for bonding. Each Molecular Orbital can hold at most
two electrons.

    There are only three types of Molecular orbitals: sigma, pi, and delta.
Sigma orbitals are formed when the "ends" of Atomic Orbitals bond, and
thus are free to rotate after bonding. Pi and delta Molecular Orbitals are
by side by side bonding and thus are not free to rotate. (CHEMICAL does not
include delta bonds)

2.6)  Bonding

    Atomic and Molecular orbitals have energy states associated with them.
Bonding occures when a lower energy state occurs by sharing electrons. No
more than two electrons may occupy any orbital. When many possible
bonds exist the lowest energy one will dominate and determine the 3
dimensional configuration.

    Typically each atom donates an electron for bonding. Sometimes one
atom will donate both electrons, this is called a Dative bond.
Occasionally bonding can only occur by using the higher energy anti-bonding
orbitals.

    The bond order is determined by the number of pairs of electrons in
bonding orbitals minus the number of pairs of electrons in anti-bonding
orbitals. The higher the bond order the stronger the bond.

2.7) Size of Atoms

    Atoms for higher numbered elements are generally larger. The size also
varies with the type of hybrid and bonding. CHEMICAL has a built in table
of atom sizes according to the orbital type and bond order. This
information was taken from the Van Nostrand's Scientific Encyclopedia.

2.8) Ions

    Atoms that loss or gain electrons are called ions. CHEMICAL has a
built in table of typical ions. Negative ions are large because they has
gained an additional electron. Positive ions are small due to the loss of
an electron.

2.9) Electronegativity

    The power of attraction that an atom shows for electrons is called
electronegativity. Electronegativity is a measure of the attraction of an
atom for electrons in its outer shell. The EGA colors in CHEMICAL (when
the color scale is active) are selected to correspond to the electro-
negativity: Red being low and blue being high.

2.10)  sp, sp2, and sp3 Hybrids

    The s, p, and d atomic orbitals combine to form hybrids. The
directional characteristic of these hybrids combine the characteristics of
the composite atomic orbitals. In addition the new hybrid orbitals
position themselves so as to have the maximum angle between any two
orbitals.

2.11) Flat ring structures

    The sp2 hybrid has three bonds oriented in a plane. The angle between
these bonds is 120 degrees, which is the same as the angle in a six side
figure. Therefore, six sp2 can combine to form a six atom ring.

    However, a five sided ring has 112 degrees between its angles. In
order to make five sided structures using sp2 hybrids the sp2_5 hybrid is
included. This hybrid is the same as sp2, except that the angles between
the ' and ` bonds are changed to 112 degrees. These two bond are the
default (highlighted) bonds.  This makes five ring structure easy to make.

    The angle between bond for the sp3 hybrid is not correct for either 5
or 6 ring structures. Therefore, the sp3_5 and sp3_6 bonds are provided.
The sp2, sp2_5, sp3_5, and sp3_6 hybrids form flat rings.

   Some Molecular structures have a 5 ring connected to a 6 atom ring. To
generate this structure select the 6 atom in the large ring first. Make
sp2 or sp3_6 hybrids of these six atoms. Bond all of these atom together
to form a ring Next select the 3 atoms needed to form the 5 atom ring, and
make sp2_5 or sp3_5 hybrids. The default bond selections should make the
desired structure.

2.12) sp3 Rings

   Rings can be made using the sp3 hybrids. However this structure can not
be flat because the angles between bonds are not 120 degrees.  This is the
structure formed by choosing the default selections.

2.13 d2sp3 Hybrids

   When CHEMICAL forms hybrids, the electrons are re-distributed among the
new orbitals. In the hybrids presented so far the distribution is done so
as to spread out the electrons among all the hybrids. This forms hybrids
with only one electron that can be used for covalent bonding. However,
the electron distribution in some hybrids, such as d2sp3 is different.
These hybrids have no electrons, and require two electrons from another atom
to form a covalent bond. These are called coordination compounds.

2.14 The W and R commands

   The W and R commands are used to save and recover from errors. Complex
molecules are difficult to make because of the large number of possible
bonds. Using the W command can save a lot of work.

2.15 Data File Structure

    This is an example of a data file:

   chemical_name("H2O Water")
   chemical(a(3,"H ",o("1s",1,"σ",1)))
   chemical(a(1,"O ",o("3p(z)",1,"σ",3)))
   chemical(a(2,"H ",o("1s",1,"σ",1)))
   chemical(a(1,"O ",o("3p(y)",1,"σ",2)))
   atomlocation(1,l(0,-466,-466,0.7,0,0,0,6),1)
   atomlocation(2,l(0,931,-466,0.375,4.712387201,0,1.57079633,1),1)
   atomlocation(3,l(0,-466,931,0.375,0,-1.57079633,0,1),1)
   commandactive("Files")
   viewshown("Top")
   grid(8)
   atom_count(4)


   Each orbital is represented by a line labeled "chemical" and contains
the Selection Number, the Atom Name, the orbital name, the number of
electrons in this orbital, the bond type(if bonded), and the atom number
bonded to. Each atom has a line labeled "atomlocation" giving: the X,Y,Z
coordinates, the radius, the X,Y,Z rotation angle of the Atom, and the
color of the atom (last integer is used internally in program).

   Several people have requested the capability to output CHEMICAL files to
other I/O devices or formats. A program can be written to convert to/from
the "atomlocation" values in the *.DAT file. The X,Y,Z values are two byte
integers that need to be divided by 1300 to give angstroms. The radius is
an 8 bytes real (IEEE format) value in angstrums.

3.0) CHEMVIEW

3.1) Starting CHEMVIEW

   CHEMVIEW can be started by entering chemview at the DOS prompt, or by
the FA command when using CHEMICAL. CHEMVIEW only works with an EGA
monitor, so no selection of graphic mode is provided. Once CHEMVIEW is
started select a file using the cursor and CR keys.


3.2) Commands

   The direction of rotation and image size can be changed via the
following commands:

         cursor keys           change direction of rotation
         + key                 makes image bigger
         - key                 makes image smaller
         End key               stops motion (use cursor key to restart)
         Space Key             returns to File Menu
         Ctrl Break            exits CHEMVIEW


4.0) CRYSTAL

4.1) Starting CRYSTAL

   Start crystal by entering CRYSTAL at the DOS prompt. An EGA card and
monitor is required. Crystal requires two color graphics pages to show
animation, this is only available on the EGA monitor.

4.2) Examples

   Several example files are included on the disk. To view these use the R
command to read files from the disk. Then use the V command to view the
files. Use the cursor keys to change the direction of rotation and the
space key to exit view mode. The + and - keys change the image size. The
End key stops rotation.

4.3) Editor and Help File

   Modification are made using the built in text editor. Help in using the
text editor is available using the F1 key when in the edit mode. Help for
command format and an ion list are available using the shift F1 command.
The F5 key can be used to make the help window bigger.

4.4) Ionic Crystals

   Most crystal consist of atoms that are bonded with ionic bonds. Ionic
bonds differ from covalent in that the electron is captured by one of the
atoms, rather than being shared.

   Crystals are large structures that are formed by a repeated pattern of
unit cells. The simplest cell is a cube.

4.5) Cubic Cell

   New structures are made by entering text into the built in editor. Each
command must be on one line and terminated with a period and CR (Enter
Key). Clear the previous text by using the C (clear) command. Then enter
the editor using the E (edit) command, then enter the following lines:

                  { Cu3Au }.

     Make cube dimensions 3.90 A.
     Place Au atoms at the corners of the cube.
     Place Cu atom at the center of the cube.
     Place Cu atoms on the faces of the cube.


    Using the view command will then show the crystal. The top
    line is a comment line, and is not part of the program. The
    cube dimensions are set by the next line. Atoms are placed in
    the cube by the following lines. Next add this line:

    Duplicate the cube.

   The view command will show how the cube structure repeats to make a
larger structure.

4.6) Lattice Cell

   Lattice cells have sides of different length. The length and angles of
the sides can be defined by the commands:

    Make lattice dimesions 5.38, 5.38, 8.44 A.
    Make lattice angles 30 90 90 Degrees.

4.7) Placement of Atoms within Cells

    The following example shows how atoms can be placed within
    cells:

           { BiF3  }
   Make cube dimensions 5.12 A.
   Make atoms full scale.
   Place Bi3+ atoms at the corners of the cube.
   Place Bi3+ atoms on the faces of the cube.
   Place an F- atom at the center of the cube.
   Place F- atoms on the edges of the cube.
   Place F- atoms at (0.25,0.25,0.25), (0.25,0.25,0.75).
   Place F- atoms at (0.25,0.75,0.25), (0.25,0.25,0.75).
   Place F- atoms at (0.75,0.25,0.25), (0.25,0.25,0.75).
   Place F- atoms at (0.75,0.75,0.25), (0.25,0.25,0.75).


4.8) Atom Scale and Colors

   The default atom scale and colors can be changed with the following
commands:

    Color Fe2+ atoms red.
    Make atoms full scale.

APPENDIX A CHEMICAL Commands

A  - (Atom) This command displays a periodic table. Elements are selected
by moving the cursor to the desired Element, then depressing the CR key.
The esc key is used to exit this command.

B  - (Bond) This command is used to bond two atoms. A list of all atoms
selected is displayed, along with its electron orbital configuration. The
size of the atom is determined the first time it is bonded.

A choice of three bond types: Anti, Dative, and Shared, is provided to
determine which atom in a bond will supply the two electrons needed for a
molecular orbital. A shared bond takes two electron from each atom. A
Dative bond takes both electons from one atom. An anti bond allows three
or four electrons to be used in the bond.

C  - (Clear) This command clears the screen and the buffer for all Atoms
and Bonds selected so far. A Yes/No menu is used to reduce the change of
accidently clearing the buffer.

FA - (Animate) This command executes program CHEMVIEW which shows molecules
in 3 dimensional rotation (on EGA monitors only). The cursor keys are used
to change the direction of rotation, the + and - keys change the size, the
End key stops rotation, the space bar returns to the CHEMVIEW window and
the Ctrl Break key returns to CHEMCIAL. CHENVIEW.EXE must be on the
default disk.

FB - (View Buffer) This command stores the buffer under the file name
TEMP.DAT, then allows the file to be viewed.

FH - Show help file

FM - Minimize Chemical File size by deleting unused orbitals. Do not use
this command until you are completely done, since no additional bonds can
be made to a minimized file.

FR - Read a Chemical File

FS - Goto Operating System, EXIT returns to CHEMICAL.

FT - Show Tutorial File

FV - View a file from disk

FW - Write a Chemical File

G  - (Group) This command is used to attaches groups of atoms that were
made using the Bond command. One atom from the group selected is attached
to an atom of a group previously selected. The new group can be rotated
around the X,Y, or Z axis before it is attached.

H  - (Hybrid) This command is used to combine electron orbitals into
hybrids. A list of possible Hybrids is displayed. A _5 or _6 ending
indicates that the bonding angles have been adjusted to make a 5 or 6 bond
ring.

I  - (Ionize) This command is used to ionize an atom. A list of the
possible ionizations is displayed.

MA - (Move) This command is used to manually move an Atom or Group.

MC - Change color of atom. The color for all atoms of the type selected are
changed.

MD - Deletes a selected atom from the current buffer. This command is most
useful for modifing an existing file into a similar chemical. All atoms
following the one selected are re-numbered. This command may require
several seconds on large files.

MR - (Re-center) All atoms are re-centered on the screen. This command is
used when reading files generated by older versions of CHEMICAL.

MS - Rotate around Sigma Bond - Atoms are free to move around sigma bonds,
and will generally do so to minimize the energy of the system. This
command will rotate an atom and other attached atoms.

MX - Rotate atoms around X axis. Do not use any of the rotate commands
until the molecule is complete. The angle for bonds made after rotation
may not be correct.

MY - Rotate atoms around Y axis

MZ - Rotate atoms around Z axis

R  - (Not on Menu) Read to buffer from TEMP.DAT

SB - Toggles Bond lines on/off. Bond lines are only available in graphic
mode with 16 colors.

SC - Toggles electronegativity scale on/off. When on, a color scale is
shown at the bottom of the display window (EGA mode only). The atom colors
are changed to correspond to the electronegtivity of the atom. When off no
scale is shown and the colors are changed to have more contast.

SE - Toggles expanded view on/off.

SG - Toggles grid on/off.

SN - Toggles atom numbering on/off.

V  - (View) This command will show the view of the chemical that has been
selected by the up/down cursor keys. The horizonal axis and vertical axis
are shown in the upper right hand corner of the screen. Lines are shown to
indicate bonds. The upper right hand corner of the screen shows which axis
(X, Y, or Z) is aligned with the vertical and horizontal view shown.

Atoms are listed on the left. In 16 color modes, the color is used to
designate the atoms. In 2 and 4 color modes, the atoms are labeled.

W  - (Not on Menu) The Write command write the buffer to the file TEMP.DAT.
The Write and the Read commands can be used to recover from an error
during construction of a chemical.

APPENDIX B  CRYSTAL Commands

   { COMMENT }
   Color __ atoms  Red|Pink|Light_Pink|Orange|Gold|Yelow|Mint_Green
                   Forrest_Green|Green|Light_Green|Light_Blue
                   Violet_Blue|Blue_Violet|Blue|White.
   Duplicate cells.
   Make atoms __ scale.
   Make cube dimensions __ A|pm.
   Make lattice dimensions __ __ __ A|pm.
   Make lattice angles __ __ __ degrees.
   Place __ atom|atoms at center|corner|edge|face of cube|lattice.
   Place __ atoms at (__,__,__), (__,__,__), ... .
   Place __ atoms on body centered cube.
   Place __ atoms on cubic closest packing.
   Place __ atoms on face centered cube."),
   Place __ atoms on a hexagonal lattice.").

   Ac     2.0    Ac3+   1.11   Ag     1.44   Ag+    0.97   Al     1.43
   Al3+   0.57   Am3+   1.00   Am4+   0.85   As     1.21   As3+   0.69
   As3-   1.99   As5+   0.47   At     1.40   Au     1.44   Au+    1.37
   B      0.88   B3+    0.2    Ba     2.17   Ba2+   1.38   Be     1.11
   Be2+   0.31   Bi     1.46   Bi3+   1.20   Bi3-   2.217  Bi5+   0.74
   Br     1.14   Br-    1.97   Br7+   0.39
   C      0.77   C4+    0.15   C4-    2.60   Ca     1.97   Ca2+   1.06
   Cd     1.49   Cd2+   0.99   Cl     0.99   Cl-    1.81   Cl7+   0.26
   Co     1.26   Co2+   0.78   Co3+   0.65   Cr     1.25   Cr2+   0.80
   Cr3+   0.70   Cr6+   0.52   Cs     2.62   Cs+    1.70   Cu     1.28
   Cu+    0.96   Cu2+   0.72
   F      0.64   F-     1.36   F7     0.07   Fe     1.26   Fe2+   0.80
   Fe3+   0.67
   Ga     1.22   Ga3+   0.65   Ge     1.22   Ge2+   0.65   Ge4+   0.55
   H-     2.08   Hg     1.55   Hg2+   1.12
   I      1.33   I-     2.16   I7+    0.50   In     1.62   In3+   0.95
   Ir     1.35   Ir4+   0.66
   K      2.31   K+     1.33   Kr     1.69
   La     1.88   La3+   1.07   Li     1.52
   Mg     1.60   Mg2+   0.75   Mn     1.29   Mn2+   0.83   Mn3+   0.52
   Mn7+   0.46   Mo     1.36   Mo4+   0.68   Mo6+   0.65
   N      0.70   N3-    1.56   N5+    0.11   Na     1.86   Na     1.86
   Na+    1.00   Ne     1.12   Ni     1.24   Ni2+   0.74   Np3+   1.02
   Np4+   0.88
   O      0.66   O2-    1.4    O6+    0.09   Os     1.34   Os4+   0.65
   P      1.1    P3-    1.92   P5+    0.34   Pb     1.75   Pd     1.38
   Pd2+   0.50   Po     1.4    Po4+   0.9    Pt     1.38   Pt2+   0.52
   Pt4+   0.55   Pu3+   1.01   Pu4+   0.86   Ra     2.2    Ra2+   1.42
   Rb     2.44   Re     1.37   Re6+   0.52   Rh     1.34   Rh3+   0.75
   Rh4+   0.65   Ru     1.33   Ru4+   0.60
   S      1.04   S2-    1.855  S6+    0.29   Sb     1.41   Sb3+   0.90
   Sb3-   2.17   Sb5+   0.62   Sc     1.6    Sc3+   0.83   Se     1.17
   Se-    1.96   Se4+   0.40   Se6+   0.42   Si     1.17   Si4+   0.40
   Sn     1.4    Sn2+   1.02   Sn4+   0.65   Sr     2.15   Sr2+   1.18
   Tc     1.3    Tc4+   0.50   Te     1.37   Te2-   2.21   Te4+   0.84
   Te6+   0.56   Th4+   0.95   Ti     1.46   Ti2+   0.76   Ti4+   0.60
   Tl     1.71
   U3+    1.04   U4+    0.89
   V      1.31   V2+    0.82   V3+    0.75   V5+    0.59
   W      1.37   W4+    0.68   W6+    0.65
   Xe     1.9
   Y      1.80   Y3+    0.91
   Zn     1.33   Zn2+   0.75   Zr     1.57   Zr4+   0.80

APPENDIX C  Crystal Editor Commands

Start of line              Home                 Ctrl-Q Ctrl-S
End of line                End                  Ctrl-Q Ctrl-D
Scroll up                  Ctrl-W
Scroll down                Ctrl-Z
Page up                    PgUp                 Ctrl-R
Page down                  PgDn                 Ctrl-C
Start of text              Ctrl-PgUp            Ctrl-Q Ctrl-R
End of text                Ctrl-PgDn            Ctrl-Q Ctrl-C
Previous position                               Ctrl-Q Ctrl-P
Goto line                  Ctrl-F2              Ctrl-Q Ctrl-L
Goto position              Shift-F2
Insert new line                                 Ctrl-N
Backspace                  Ctrl-H
Delete character           Del                  Ctrl-G
Delete word                                     Ctrl-T
Delete to start of line                         Ctrl-Q Ctrl-T
Delete to end of line                           Ctrl-Q Ctrl-Y
Delete line                Ctrl-BackSpace       Ctrl-Y
Copy block                 Ctrl-F5
Copy block again           Shift-F5
Copy block to printer      Alt-F8
Copy block to file         Alt-F5
Copy block from file       F7
Move block                 Alt-F6
Delete block               Alt-F7
Undo delete block          Ctrl-F7              Ctrl-K Ctrl-U
Change case for a block    Ctrl-F6
Search                     Ctrl-F3
Search again               Shift-F3
Replace                    F4
Replace again              Shift-F4

APPENDIX D Mouse Drivers

     The following program can be used with a LOGITECH mouse

     BEGIN LeftB, MidB, RightB, LeftM, RightM, UpM, Down, 50, 100
     LeftB:       TYPE ENTER
     MidB:        TYPE esc
     RightB:      TYPE " "
     LeftM:       TYPE 0,75
     RightM:      TYPE 0,77
     UpM:         TYPE 0,72
     DownM:       TYPE 0,80

     Load LOGITECH Menu program then compile above program using using
     Newmenu.

The following program can be used with a MouseSystems Mouse:

     Sensitivity    (30, 40)        ; (Xinc, Yinc)
     Hysteresis    (2, 2)        ; (AutoX, AutoY)
     ArrowKeys: Cursor
     (
         Left    ([Left])
         Right    ([Right])
         Up    ([Up])
         Down    ([Down])
     )
     LB:    Button    (Keys([Enter]))    ; Left button, Main Menu
     MB:    Button    (Keys([Esc]))     ; Middle button
     RB:    Button    (Keys([Esc]))        ; Right button
     Mouse
     (
         Left    (LB)
         Middle    (MB)
         LeftRight(MB)
         Right    (RB)
         Cursor    (ArrowKeys)
     )