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 STR3DI32.EXE Molecular Model - from the x-ray data

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.

STR3DI32

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 NOW

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