Chemistry and related sciences

modelling

  Before I go any further, I would like to thank those who mailed me in
response to previous questions regarding the silicon polymer and
explosives.  The opportunity to reply was missed partly due to an
over-active mail deletion-by-date system!  Nevertheles….

  I am currently in need of any basic step-by-step methods or algorythms
for determining the 3 dimensional shape and orientation of simple
organic compounds.  Essentially, I plan to model these molecules with a
program, but have more programming experience than chemistry.  Also, any
information relating to the structure and or lattice structures of
elemental inorganic comounds would also be appreciated.  As of right
now, I have the "basic" lattice structure for several (ie. rhombic,
hexagonal,etc.).

  As part of the final goal, I would like to take any formula (with a
relative complexity, of course) and use a processes to lay down the
structure via a normal 3d coordinate system which is then sent to the
modeller to be rendered.  Is it *possible* to figure these out, or
is a data base of pre-defined structues (I would like to avoid this)
required?  If so, would you post it for me (any form is fine, verbal
steps can be translated and written out)?

  Also, any suggestions relating to Stereochemistry and CAD modelling
would be greatly appreciated. Thanks ahead of time!

<>  "The meek will inherit the Earth.           Fatline from the     <>
><  The rest of us will go to the stars."            Gods            ><
><                                                                   ><
><  From the Dual-Processor Computer Of: Patrick.Ev…@Canrem.COM    ><


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