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structure_solution [2016/09/28 08:04] 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 {{:urea.zip|.zip file}}. This tutorial goes through all the steps from indexing a pattern, improving the unit cell, solving the structure by simulated annealing and structure refinement. | ||
