Previous Next

*   Sizes Page
On the Sizes page in the Reaction Restrictions dialog box, you can limit the size and complexity of a reaction pathway generation.
Increasing the maximum number of reaction steps can exponentially increase the number of fragments produced for a specified reaction path. Generally, keep this number small, and if you must generate additional fragments, you can select individual fragments to use as starting points for additional reactions.
Large and structurally complicated molecules can produce an enormous number of reactions but consume a large amount of memory. This memory consumption limits the number of temporarily generated reactions. If the reactions limit is reached, the generation stops and the application displays an error message, but the fragments and mechanisms generated up to that point are displayed. The most important fragments are generated first, so even if a generation stops, the most important fragments have likely been generated. However, if you are missing an important fragment because you assume the generation was interrupted, you can increase the reactions limit.
Sizes page of the Reaction Restrictions dialog box
Display This Window Every Time Generation of Fragments & Mechanisms Is Started
Opens the Reaction Restrictions dialog box each time you start fragment generation. Clear this check box if you want to use the same parameter settings for subsequent fragment generations and do not want to see this dialog box each time.
If you clear this option and want to return to displaying the Reaction Restrictions dialog box each time you start fragment generation, follow the instructions To restore the Reaction Restrictions dialog box each time you start fragment generation.
Restores all default values in the Reaction Restrictions dialog box. These values take effect after the regeneration of fragments and mechanisms and affect all subsequent generations. The current Fragments & Mechanisms windows are not affected.


Previous Next
Related Topics:
  Base Page
  Ionization and Cleavage Page
  H-Rearrangements Page
  Resonance Page
  Additional Page
Copyright 1998 - 2013 HighChem Ltd., Slovakia