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> AOCR | > Distributed Version |
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Select squalene from Open preprepared compounds under
File in the Composer. When the formula appears press
Save start. Now select lanosterol. When the formula
is displayed press Save searched.
Set the Computation Tool in the following way, where no indication means to leave the field empty or the box unchecked: 1. ComputationMAIN: start 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 The program should have found a synthesis! 5. Computation(by involving only two domains instead of three and restrictingthe set of rules):MAIN: start 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 The program should have found a synthesis! Under Settings / Redraw in the Composer set Bound to 800, Step to 30, Maximum bond to 100 and Minimum angle to 30. To view the synthesis choose Open step in derivation from File in the Graphic Composer. |