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structure_solution [2016/09/09 16:29]
johnsoevans
structure_solution [2020/07/16 11:29]
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-====== Structure Solution ====== 
  
-There are lots of different structure solution methods built in to Topas. ​ Some places to look for information include: 
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-  * The topas user manual 
-  * Sections of the Technical Reference 
-  * John's [[http://​community.dur.ac.uk/​john.evans/​topas_workshop/​topas_user_menu.htm|on line tutorials]] 
-  * Input files in the Examples/​Structure solution menus in jEdit 
-  * Input files in the Examples/​Charge-Flipping menus in jEdit 
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-Martin Fisch has provided a fully worked example on the structure solution of urea which you can download as a .zip file [link to be completed]. ​ This tutorial goes through all the steps from indexing a pattern, improving the unit cell, solving the structure by simulated annealing and structure refinement. 

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