Crystallographic Tutorials

Crystallographic Tutorials

Software Tutorials To Aid You in Determining Your Crystal Structure

**plus some advice from Mike**
Characterizing your crystal	Characterizing your crystal Four Things You Should Do Once you Have A Native Dataset 1) Twinning Server 2) Matthews Coefficient 3) Self Rotation Function using GLRF 4) Native Patterson Map using XtalView
Molecular Replacement	Molecular Replacement Chose an algorithm best suited to your problem. 1) GLRF 2) Amore 3) EPMR 4) CNS 5) Queen of Spades 6) Fffear
	Phasing with Multiple Isomorphous Replacement/Anomalous Scattering (MIRAS) or Multiwavelength Anomalous Dispersion (MAD) Involves multiple steps. A) Preparing Heavy Atom Derivatives B) Evaluating the quality of a potential derivative. C) Calculating an Isomorphous difference Patterson map D) Calculating an Anomalous difference Patterson map E) Calculating Phases 1) Solve 2) Mlphare 3) Sharp
Graphics	Graphics We offer examples from each program to help you choose the program best suited to your needs. Specifically, we consider two types of figures typically appearing in crystallographic articles; (1) panoramic view (tertiary/quaternary structure) and (2) close up views (active sites, interfaces, etc.) and 1) Ribbons 2) Setor 3) O with Molray 4) Rasmol with Raster3D 5) WebLab viewer 6) Ligplot