Single Crystal Structure Solution

• CAOS (also inside part of Sir97) – Ricardo Spagna, et. al.
  • Patterson Solution Option.

• Crisp – Part of the GPL’d Xtal Suite
  • Direct Methods

• Crunch – R. de Gelder, R.A.G. de Graaff & H. Schenk,
  • Direct Methods and automatic structure building

• Dirdif - P.T. Beurskens, G. Beurskens, R. de Gelder, et al. - UNIX and Windows
  • Patterson Methods for heavy atoms and fragments and automatic structure building

• “Patsee” – E. Egert and G. Sheldrick
  • Fragment Search

• SAPI and DIMS – Fan Hai-Fu, et al.
  • Direct methods including ability to handle pseudo-symmetry and incommensurate modulated structures and composite structures (Windows)

• Shake’n’Bake (SnB) – Weeks, Miller, et al.
  • Dual-space direct methods. (Linux, SGI, IBM AIX, Alpha executables via web)

• ShakePSD/DS*SYSTEM – Kenji Okada
  • Windows based direct methods for large structures up to 500 atoms

• “Shelxs” 86/97/d- George Sheldrick
  • Direct Methods and Patterson Option

• Sir92/97/2000 – Sirware Group: Cascarano, Giacovazzo el al
  • Direct Methods and automatic structure building

• Solver – in NRCVAX Suite – based on Multan
  • Direct Methods

Also can be applied to powder problems - is a range of programs to choose from:

http://www.ccp14.ac.uk/solution/xtalsolution/

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