Exorga, Inc. - Consultants in Chemistry, Molecular Modeling, and the Environment
Welcome to The Exorga, Inc. Web Site!
Consultants
in chemistry and chemical engineering actively involved in product development,
computational, experimental, and environmental organic chemistry.
An
interesting STR3DI32 view of a heptahelicene bearing a delocalized nitrile
group, from x-ray data. Notice the
inconsistent C-C bond lengths?
Exorga, Inc. - We are developers of advanced chemistry software.
The
full-features demo version (limited to accommodate only 200 atoms) is available
for FREE!
We
are pleased to announce the release of the version 4.2.0.6 of STR3DI32. Keep watching for the release of version
4.3.0.0, soon.
Most
C-H, O-H and N-H bonds in x-ray crystal structures are too short! In fact, based on the covalent radii of the
atoms involved, in most instances the bond lengths would correspond to bond
orders of 2! This is such a widespread
problem that we tweaked STR3DI32 to handle these errors. We also tweaked the graphics/clipboard
routine to give more options in copying images. Hence version 4.2.0.6.
STR3DI32
generates the best molecular simulations of single molecules and docked
molecular clusters, of any molecular mechanics program currently
available. Its still tightly integrated
with its file importation utility, and boasting new structure display features
and options. New advanced memory
management features now empower the program to automatically address molecules
of any size, while still ensuring that is does not abuse the computer’s memory
resources.
We
must agree with critics of STR3DI32.
If you do not want to think, or to learn, but you just want to create
and play with pretty pictures that will give you limited data, then use the
student versions (or even the full versions) of the other popular, and less
capable, molecular modeling software packages that are available.
However,
if you want to do serious, sophisticated molecular modeling, like working with
biomolecular clusters, and the many other things that the student versions of
software packages cannot do, then you will want to use STR3DI32.
If
you want to do modern molecular modeling, in which molecular structural
features are generated in direct response to the structural and
stereo-electronic features of the molecule being simulated, and NOT by
inflexible templates, then consider using STR3DI32.
Try
using one of the other molecular modelers to search a large complex protein
structure for important features like non-delocalized amide linkages! Only STR3DI32 can
do that successfully.
The
advanced structure analytical algorithms of STR3DI32 are tried and tested, and
shown to be vastly superior to others, in detecting subtle stereo-electronic
effects embedded in diffraction generated coordinate data, like aromaticity and
anomeric effects. No other molecular
mechanics based program can help you to understand the interplay of structure
and reactivity because they do NOT perform their calculations with explicit
inclusion of lone pair interactions.
For example, the ONLY molecular mechanics program that can predict
relative nucleophilicities is STR3DI32.
Did
you know that the vast majority of quantum mechanical theoretical studies start
with molecular models generated by molecular mechanics? And that even when a low-end MM program is
used to make the initial model, the QM manipulations hardly ever result in any
change in the structure? Did you know
that it is almost impossible to generate a realistic molecular model, ab
initio, using any QM method?
Do
you use an Apple PC? Then remember that
most emulators that run Windows in Apple Macs will run STR3DI32 almost as fast
as it runs in a PC with Windows.
Take
the time to find out more about STR3DI32,
now released in the new Version 4.2.0.6, and also visit the STR3DI32 FAQ, for hints, tips and additional help.
Exorga, Inc. - We are experts in organic chemistry.
Exorga,
Inc. will provide you with expert consultants in every area of organic
chemistry, including chemical engineering and environmental matters. We also specialize in the development of
environmentally benign organic chemistry processes, and in the redirection of
organic chemical by-products into mainstream, valuable, "fine"
chemicals.
Exorga, Inc. - We are environmental chemists and chemical
engineers.
Exorga,
Inc. will assist, and advise, you in understanding and remediating chemical
environmental issues. Our chemical
engineers have lots of experience in this area and offer totally confidential
consultations.
For more information about our services and products - Write to us
Visit our Exorga's Web
Goodies site for some links a variety
of websites that we have found to be both interesting and entertaining. You will be delighted by these sites.
Visit our Exorga's
DOWNLOADABLES site for
access to STR3DI32, and to some utilities we have found to be very useful.
We
offer unsurpassable, confidential consultation in organic chemistry, in
environmental chemistry, in molecular modeling, and in the development of
custom chemistry software. We can also
provide you with expert advice in the construction of molecular databases, and
in the conversion of your industrial organic chemical by-products into valuable
materials.
CONTACT
US
Via US Mail at - EXORGA,INC., P. O. Box 56, Colonia, New Jersey 07067, U.S.A.
Via e-mail at - Exorga, Inc. E-mail.
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EXORGA
INC. - Consultants in ALL areas of organic
chemistry, chemical engineering, product development, and chemistry software.
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Last updated – 06-28-2009