OMEGA Release 2.5.1.4 OpenEye Scientific Software, Inc.

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FILTER FILES
There are two parameter files a user can provide if they would like to override or augment the default parameter sets.
The first is the “filter file”. It provides acceptable limits for all of the physical properties and functional groups in the
default filter. The second is the “newrule file”. If you have a filter you like, but would like to augment it with a set of
additional rules, these can be added with a newrule file.
There are four types of statements that can occur in a filter file:
• physical property limits
• rules
• new rules
• selections
The statements should occur one-per-line in the filter file.
Note: If the appropriate line is not in the filter file, or the value is false, the respective measure will not be used in
filtering and its value will not be included in any table-based output.
12.1 Physical Property Limits
There are a large number of physical property limits. They occur as three fields on a line. For example:
MIN_HETEROATOMS 2 "Minimum number of heteroatoms"
The first field is the property keyword, the second field is the value assigned to that keyword, and the third field is a
brief informational message. There are a fixed number of physical property keywords. No additional physical property
keywords can be added by the user. The current keywords and brief definitions of each are listed below.
Hint: The values listed below are those found in the default BlockBuster filter.
12.1.1 Basic Properties
Molecular Weight
Isotopic molecular weight
MIN_MOLWT 130 "Minimum molecular weight"
MAX_MOLWT 781 "Maximum molecular weight"
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