| Contrib Map |
Tues-Fri, 23-26 February 1999 Radisson Hotel, Santa Fe, New Mexico |
/**********************************************************************
* This source code is public domain, and may be freely distributed, *
* modified, and used for any purpose. IT COMES WITH ABSOLUTELY NO *
* WARRANTY OF ANY KIND. *
**********************************************************************/
Programs in this directory illustrate features which support processing
of generic reactions (transforms) in the Daylight system. Requires the
SMILES, SMARTS, and REACTION licenses to execute these programs.
enumerate
Fully enumerates a mixture, given the specification in the 'MTZ'
language.
tranfilter
Given a transform on input, applies it to molecules given on standard
input. Writes the generated reactions on standard output.
transformtest
Test program for transforms. Reads commands from standard input
(see the comments in the source file) and compares the results with
expected results. The files in the 'txf' directory are input for this
program.
trantest1
trantest2
Test various features of transform handling.
testatom
Test atom map handling.
tryschemes
Takes a file of transforms as the sole arguement. Reads molecules from
standard input, and applies the transforms exhaustively. Writes out any
reactions which occur on standard output.
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:enumerate:Enumerates all molecules in a mixture
:tranfilter:Filter which applies a given transform to molecules
:transformtest:Formalized transform test program
:trantest1:Simple test program
:trantest2:Simple test program
:tryschemes:Applies sets of transformations exhaustively