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USER’S MANUAL
Method Options
Normal Database
This option specifies the method of the analysis when the whole
database is to be analyzed by one cycle. It is used for small
databases (up to several thousands of compounds) for which
topological data can entirely fit in memory.
Huge Database
This option specifies the method of the analysis, which can be
performed in several cycles (specify Search range), each of
which consists of the following steps:
♦ the data are being read until free memory becomes less than
5Mb.
♦ topology is compared inside these group of compounds and
topological types are revealed.
♦ the database part remained is searched for the compounds
falling to new topological types. In this mode index file is
formed automatically. Also temporary file *.MED is created,
which allows one to continue an interrupted analysis starting
from the interruption point. This file is erased at the end of
the analysis.
Search range
This option allows you to prevent the overflowing the allowable
number of entries in the search database during the search in huge
databases (more than 16380 entries). The range of entries can be
specified, within which the search will be made. An empty range
means the search through the whole database. When the only number
is specified together with colon then the search will be made from the
entry from this ordinal number up to the end of huge database. Such
a range can also be used to load a part of a huge database to memory.
Find Results
This procedure searches for the compounds in the active database,
for which the topology of crystal lattice has been calculated by
IsoTest program (p.159). The search will be performed when you
indicate *.ITS or *.ITL data file, where the data on topological
properties is stored. The compounds found will be selected in the
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