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rigid_body_-_matching_to_a_known_fragment [2017/08/28 04:14]
alancoelho
rigid_body_-_matching_to_a_known_fragment [2017/08/28 09:45]
alancoelho
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  --- //​[[alan.coelho@bigpond.com|Alan Coelho]] 2017/08/28 04:08//  --- //​[[alan.coelho@bigpond.com|Alan Coelho]] 2017/08/28 04:08//
  
-The following example runs stand-alone;​ ie. no data files are necessary. The rotation and translation coordinates are determine ​in one refinement Cycle.+The following example runs stand-alone;​ ie. no data files necessary. The rotation and translation coordinates are determined ​in one refinement Cycle.
  
 Atoms types given for occupancy is for display purposes.  ​ Atoms types given for occupancy is for display purposes.  ​
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    ​Determining rotation and translation parameters for a known fragment    ​Determining rotation and translation parameters for a known fragment
    The known-fragment is in fractional coordinates.    The known-fragment is in fractional coordinates.
-   Doing the same for a fragment in cartesian ​coordinates is trivial from here.+   Doing the same for a fragment in Cartesian ​coordinates is possible by changing the lattice angles to 90 degrees and adjusting the lattice parameter lengths.
 */ */
  
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       Distance_Restrain(O6 wO6, 0,0,0,1)       Distance_Restrain(O6 wO6, 0,0,0,1)
 </​code>​ </​code>​
 +
 +The following should be seen from the GUI after running the above:
 +
  

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