Under MS Windows 98 the
Computation Tool
does not support file or directory names which
are longer than 8 characters. These restrictions do not
apply to Windows 2000/XP. With Windows 98 the DOS name of files or directories
should be used in the path names entered in the fields
LIST OF RULES,
START COMPOUNDS,
SEARCHED COMPOUNDS,
DERIVATION,
GENERATION. The DOS name for names longer
than 8 characters is formed by the first
6,
non blank characters, followed by
~ and a number,
usually
1, if only one name begins
with these first
6 characters. The DOS name
can be found by opening the property window for the file or folder.
-
MAIN: Choose start to begin
a new reaction computation.
Choose continue to proceed with the previous one at
the previous position.
When continue is chosen, the fields with the list of rules,
the start compounds and the searched compounds are ignored.
-
LIST OF RULES: In this field write the name of the file containing
the list of reaction step rules.
-
START COMPOUNDS: In this field write the name of the file containing
the formula of the initial compounds of the synthesis.
-
SEARCHED COMPOUNDS: In this field write the name of the file containing
the formula of the target compounds that should be synthesized.
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 (0-9) obtained products.
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