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Step 1 of 3: Define your Tasks

Messages
NOTICE Start to define your Tasks and specify your Task Parameters.
Tasks
Tick the tasks to be performed and specify the Task Parameters accordingly.
Select Comparison Mode Description
A Compare all your structures against each other
T Compare all your structures against a single 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
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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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) }