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aocr-2.0 Utility Guide

5. How to proceed with the examples

5.7. Example of a radical reaction

Set the Computation Tool in the following way, where no indication means to leave the field empty or the box unchecked:

1. Computation

MAIN: start

LIST OF RULES: RADEX.emr (in the directory rules below the installation base aocr-2.0)

START COMPOUNDS: 2no.grf (in the directory docs/examples/nitroxide below the installation base aocr-2.0)

SEARCHED COMPOUNDS: no2.grf (in the directory docs/examples/nitroxide below the installation base)

GENERATION BOUND: 500

DISTINCT: checked

DERIVATION: (for example) nox.drv (in the directory docs/examples/nitroxide below the installation base)

The program should have found a synthesis!

For a better display of the formulas set Maximum bond under Settings / Redraw in the Composer to 60 and the value Minimum bond in the file relocate to 40.

To view the synthesis choose Open step in derivation from File in the Graphic Composer and enter nox.drv in the directory docs/examples/nitroxide for the FILE WITH DERIVATION.

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