The
MAIN list sets the computation mode.
Choose
start to begin a new reaction computation.
The computation executes correctly only if a list of reaction step rules,
a formula for the start compounds and a formula for the searched compounds
have been saved with the corresponding selections of the
Graphic
Composer. Refer to
2.1
Basic facts.
Choose continue to proceed with the previous one at
the previous position, by maintaining also the list of rules and the searched
compounds.
The following computation parameters are all optional.

TWO STEPS IN ONE: Check the box to make a computation step
the result of two consecutive reaction step rule applications.
The computation proceeds faster, but it skips the reaction step
levels 1, 3, 5,...
Therefore there is the possibility that the searched product
is not found.

GENERATION BOUND: If the GENERATION LEVELS are set, this option
has no effect. Otherwise, it sets the highest index of a generated product
from which the generation will occur. This option is a way (GENERATION
LEVELS is another one) to limit the length
of the calculation. Since continuation
is possible there is no need to do a big chunk at one time. When GENERATION
BOUND is set to a number, all formulas will be generated from a formula
with a lower number than the one set. For example if GENERATION BOUND
is set to 1, generation will happen
only from the formula of the start compounds (that has number 0).
If it is set to 10, formulas
will be generated only from the first 10 (09) obtained products.
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