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> AOCR | > Web Version |
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Set the Computation Tool in the following way,
where no indication means to
leave the field empty or the box unchecked:
1. ComputationMAIN: start LIST OF RULES: Refer to the beginnig of this chapter. START COMPOUNDS: squalene.grf (in the directory docs/examples/lanosterol below the installation base aocr-2.0) SEARCHED COMPOUNDS: lanosterol.rel (in the directory docs/examples/lanosterol below the installation base) TWO STEPS IN ONE: checked GENERATION LEVELS: 2-1 RULE APPLICATION BOUND: 8 DOMAIN: 0-9,50 2. ComputationMAIN: continue TWO STEPS IN ONE: checked GENERATION LEVELS: 3-2 RULE APPLICATION BOUND: 8 DOMAIN: 8-17,50,49 3. ComputationMAIN: continue TWO STEPS IN ONE: checked GENERATION LEVELS: 3-5 RULE APPLICATION BOUND: 8 DOMAIN: 8-17,42,43,49,50,58,56 4. ComputationMAIN: continue GENERATION LEVELS: 6-6 RULE APPLICATION BOUND: 8 DOMAIN: 8-17,42,43,49,50,58,56 DERIVATION: (for example) lan1.drv (in the directory docs/examples/lanosterol below the installation base) The program should have found a synthesis! 5. Computation(by involving only two domains instead of three and restrictingthe set of rules):MAIN: start LIST OF RULES: Refer to the beginnig of this chapter. START COMPOUNDS: squalene.grf (in the directory docs/examples/lanosterol below the installation base) SEARCHED COMPOUNDS: lanosterol.rel (in the directory docs/examples/lanosterol below the installation base) TWO STEPS IN ONE: checked GENERATION LEVELS: 3-2 RULE APPLICATION BOUND: 8 DISTINCT: checked DOMAIN: 0-17,50,49 6. ComputationMAIN: continue TWO STEPS IN ONE: checked GENERATION LEVELS: 3-5 RULE APPLICATION BOUND: 0,21:8,28:8,1:8,5:8 DISTINCT: checked DOMAIN: 8-17,42,43,49,50,58,56 7. ComputationMAIN: continue GENERATION LEVELS: 6-6 RULE APPLICATION BOUND: 0,21:8,28:8,1:8,5:8 DOMAIN: 8-17,42,43,49,50,58,56 DERIVATION: (for example) lan2.drv (in the directory docs/examples/lanosterol below the installation base) The program should have found a synthesis! To view the synthesis choose Open step in derivation from File in the Graphic Composer and enter lan1.drv in the directory docs/examples/lanosterol for the FILE WITH DERIVATION. Proceed in the same way for the derivation lan2.drv. |