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Step 1 of 3: Define your Tasks

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NOTICE Start to define your Tasks and specify your Task Parameters.
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Tasks
Tick the tasks to be performed and specify the Task Parameters accordingly.
Select Comparison Mode Description
A Compare all structures against all structures
T Compare all structures agains one designated target structure
Select Task Name Description
 
1 Preparation: Structures
2 Preparation: Contacts (required for USM and MaxCMO)
3 Preparation: ROC Analysis (depends on Similarity Comparisons)
11 Similarity Comparison: USM (depends on Contacts)
12 Similarity Comparison: MaxCMO-MSVNS (depends on Contacts)
13 Similarity Comparison: DaliLite
14 Similarity Comparison: CE
15 Similarity Comparison: TMalign
16 Similarity Comparison: FAST
17 Similarity Comparison: Vorolign
18 Similarity Comparison: URMS/RMS
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Task Parameters
Tick the tasks to be performed in the Tasks list and specify the calculation parameters accordingly.
When you have finished defining your tasks, proceed to prepare your dataset.
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Help

General Information

  • Select all Tasks that you want to be performed.
  • Alter the Task Parameters or use the default values.
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Equations

USM1  =   
   max{ C(s1.s2) - C(s2), C(s2.s1) - C(s1) }   
max{ C(s1), C(s2) }
USM2  =   
   C(s1.s2) - min{ C(s1), C(s2) }   
max{ C(s1), C(s2) }
USM3  =   
   min{C(s1.s2), C(s2.s1) } - min{ C(s1), C(s2)}   
max{ C(s1), C(s2) }
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