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matching_a_rigid_body_to_a_known_fragment [2011/08/25 07:18]
alancoelho created
matching_a_rigid_body_to_a_known_fragment [2011/08/26 15:01] (current)
alancoelho
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-The translation and rotation parameters of a known rigid body fragment ​with a unit cell can be determined by refining a rigid body against the known fragment. Consider ​the known fragment ​to comprise of two C atoms with sites named wC1 and wC2. Then create two more sites called C1 and C2 as follows:+====== Matching a rigid body to a known fragment ====== 
 + 
 +The translation and rotation parameters of a known rigid body fragment ​within ​a unit cell can be determined by refining a rigid body against the known fragment. Consider ​known fragment ​comprising ​two C atoms with sites named wC1 and wC2. Then create two more sites called C1 and C2 as follows:
  
  
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 Refinement would then fit the rigid body against the known site positions. Refinement would then fit the rigid body against the known site positions.
  
 + --- //​[[alan.coelho@bigpond.com|Alan Coelho]] 2011/08/25 19:13//

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