4. The Param File

Filter's command-line interface can be efficiently run using the -param command line parameter followed by the name of a parameter file. Param files are simply files that contain one command-line parameter on each line. Every execution of filter generates a .param file called filter.param (unless the name is overridden with either the -param flag or the -prefix flag). This file contains all of the parameters used by Filter. Further, this file can be used in subsequent Filter runs with the -param flag either with or without user modifications.

The following execution will generate a .param file called "filter.param" which is listed below. This file could be edited and used with subsequent Filter runs.

prompt> filter -in drugs.smi -out drugs.sdf -table drugs.table

Listing of "filter.param":

#Interface settings

#filter :
    #-fail (Not set, no default)
    #-filter (Not set, no default)
    -in  drug.smi
    -interval  5000 (default)
    -log  filter.log (default)
    #-newrule (Not set, no default)
    #-normalize (Not set, no default)
    -out  drug.sdf
    #-param (Not set, no default)
    -pkanorm  true (default)
    #-salt (Not set, no default)
    -sdtag  false (default)
    #-select (Not set, no default)
    -table drugs.table
    -typecheck  true (default)

prompt> filter -param filter.param

This would result in exactly the same execution as the one which generated the file above.

				FILTER Database preparation Property calculation

				FILTER Database preparation Property calculation