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RISC DISC 2
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1994-11-25
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SSERC Formula Processor
-----------------------
As a chemist I am sure you have tried to build your own empirical, molecular
and structural formulae using either your word processor or drawing package
like !Draw. Now you will know the problems associated with subscripts being
not quite the right size; or in just the correct position; and the dash (-)
might be OK for horizontal bonds but how do you do angled or vertical
bonds?; the benzene ring doesn't look symmetrical; double and triple bonds
are difficult, especially at an angle etc. etc. etc.
We used the same principles as were applied to our apparatus graphics,
namely drawing to a 1 mm grid, a set scale and overall consistency, to
create a system whereby the elements (literally), bonds, ionic and molecular
fragments as well as homologous series, pre-drawn structures and reactions
are stored in libraries. We aimed to allow the representations of atoms,
bonds and ions to fit together with ease. On the organic side we drew all
the bond lengths to scale so that even structural formulae have a more
realistic look to them.
There are three discs in this package, all of which have needed to have
their files compressed because of the large number of graphics. We have
supplied a copy of the Computer Concepts !CfsReader decompression
application on each disc. This allows you to access all the files just as if
they were in a normal window. They are split into Organic, Inorganic and
Vector.
ORGANIC DISC Directories
------------------------
acidchlor - 8 files
alcohols - 39 files
alkanals - 28 files
alkanes - 39 files
alkanoicA - 27 files
alkanones - 8 files
alkenes - 38 files
alkynes - 34 files
amides - 6 files
amines - 11 files
anhydrides - 2 files
carbohydrt - 2 files
carbon_to - 21 files
esters - 5 files
ethers - 5 files
heterocycl - 5 files
nitrogen_to - 6 files
oxygen_to - 5 files
phenols - 5 files
The carbon_to, nitrogen_to and oxygen_to directories provide scaled bonds
with a range of other atoms in every conceivable orientation. You just
ungroup the chosen bond type when you load it in then select the orientation
of the bond you require. If the molecule you require is close to one of the
pre-drawn structures in a homologous series directory then you can load this
in first then customise it with the single bond fragments. Molecules are
generally available in three forms e.g. for ethane - as CH3CH3, C2H6 and as
the full structural formula showing the bonds (Note that we show properly
sized subscripts in the real Draw files!).
INORGANIC DISC Directories
--------------------------
elements - A-to-M - 53 files, N-Z - 49 files
gases - 37 files
inorg_comp - 67 files
ions - 82 files
nonionsymb - 97 files
nuclides - 25 files
particles - 11 files
polymers - 19 files
radicals - 6 files
reactions - 33 files
reductpots - 39 files
structures - 15 files
The polymers and structures directories really belong on the organic disc
but there just wasn't the room! The former includes the repeating units as
well as the more full structural formulae. You can use the files in the
nonionsymb and ions directories to build up the formulae of inorganic
compounds - we have made a start in the inorg_comp directory to show you the
possibilities. The nuclides and particles directories contain radioactivity
symbols of isotopes and alpha, beta and gamma symbols. Reactions contains a
number of common and no-so-common examples of how to apply the basic ion and
element fragments. Reductpots contains full electrode potemtial equations
for positive and negative ions and includes the relevant voltages against a
hydrogen standard.
VECTOR LIBRARIES
----------------
This disc contains all the information contained in the other two discs. The
Vector application (a kind of advanced Draw package) is sold by 4Mation of
Castle Park Road, Barnstaple, Devon EX32 8PA, Tel (0271) 25353. We think
the SSERC Formula Processor works best with these Libraries as it makes all
the information easily and quickly accessible. We understand that these
Libraries can also be read by the pre-cursor to Vector (also designed and
created by Jonathan Marten) i.e. DrawPlus.