Solving structures using Sir2002

• Example of solving a small organic structure with Sir2002

• If Sir2002 does not solve (in this case on a polymeric inorganic) - making use of the RELAX option

• Example of solving a large organic structure with Sir2002

• Only solving on a defined trial number in Sir2002

• What to do if you have weak data that is causing Sir2002 difficulties - using a Rhomax cutoff

• Using Sir2002 to solve large polymeric inorganics involving pseudo-symmetry - R-factor stop and RELAX Procedure

Links to information on the obsolescent Sir97

Obtaining and installing Sir97

• Obtaining the sirware software (free for academic usage)

• Installing Sir97 on PC/Win95/NT

• Compiling and configuring Sir97 under UNIX/SGI IRIX

Note: a feature of Sir97 that may not be obvious to people solving routine solvable structures (or who have mainly used Sir92) is if Sir97 states that an adequate solution has not been found after Fourier cycling (R factor too high); it will automatically continue until it either solves the structure, or exhausts its strategy options.

Note: The new method of obtaining Sireware is to register as a user; upon which a username and password will be activated. You then use this to download the programs via the Sirware website.

Basic Demonstrations of Sir97

• Basic run Through of Solving an Organic Structure with Sir97

• Basic run Through of Refining an Organic Structure with Sir97

• Basic run Through of Solving an Inorganic Structure with Sir97 - (A Cesium Titanium Silicate)

• Basic run Through of Refining an Inorganic Structure with Sir97