Product

Thank you for your interest in this product. If you are dedicated to organic chemical reactions with the focus on the mechanism of bond, electron and charge movements, this software can be of significant help to you.

Students can use it as a tool for learning the theory of organic chemical reactions, teacher could develop from it a more didactic and comprehensible approach to this matter and researcher could find new and perhaps surprising solutions in the design of chemical synthesis.

The Utility contains a reaction Computation Tool, which is the window interface to the computation program, and a Graphic Composer to build and view the input, consisting of chemical formulas and reaction step rules, and to display the different computation outputs.

Backwards compatibility is guaranteed. All the data generated with a previous version can be used with the newest release. If you have already purchased a release of the aocr Utility you can download the next version without any costs.

By purchasing the aocr Utility for Windows the customer directly downloads the newest December 23, 2006 release. No updates are necessary.

For Linux and Solaris Sparc the customer downloads the August 25, 2005 release. The important update to the December 23, 2006 release is available on this website.

August 25, 2005 release

The August 25, 2005 release of the aocr-2.0 Utility includes the possibility of computing reactions with electron movements, like for example reactions involving radicals. This release has been considerably improved with respect to the previous one and it constitutes a powerful tool for the computation of organic chemical reactions. It offers several additional possibilities and it looks, touches and feels much more "chemical" than before. New are among others the following features:

• A symbol menu with the choice of all chemical and other useful symbols.
• A rule analyzer is integrated into the utility. It is able to determine whether a rule is correct or not and to prevent that wrong rules are added to the list of rules.
• The assignment of the positive and negative charge to an element is handled in a better way that completely corresponds to the chemical principles.
• Paired or unpaired electrons can be assigned to a symbol.
• Different choices regarding the movement of charges and electrons make the building of reaction step rules easier and more natural.
• The program redraws the symbols in the formula to display them appropriately, which makes the formula more clear to be understood (for example by avoiding crossing of bonds, small angles and to short or to long bonds).
• Several other improvements regarding the appearence of formulas and reaction step rules.

December 23, 2006 release

The December 23, 2006 release of the aocr-2.0 Utility introduces a better presentation of the synthesis the program has found and increases the maximum length of the generation by the factor 2.5. This increase allows a much more powerful computation.

When a step in the derivation of the target is displayed, the utility also shows the number of the rule that will be applied next and the mechanism of the next reaction step in the familiar arrow notation.

If the next computation step is obtained by two consecutive reaction steps a dialog box allows the user to choose which step should be presented.

A small inconvenience of the Windows Version associated with the use of the stop button has been eliminated and its effectiveness increased.

An irregolarity in the operation of assigning a charge or an electron to a symbol has been eliminated and a bug associated with the cancel option in the Rules menu corrected.

In the April, 2006 update two errors sneaked in, one in the dump of the generation and one preventing the procedure of checking a rule to be launched. This last one affected also the operation of adding a rule to the list. Both have been fixed.

Try the web version of the newest release.