Structure Determination by X-ray Crystallography

1 Crystal Morphology and Crystal Symmetry.- 2 Lattices and Space-Group Theory.- 3 I X-rays, X-ray Diffraction, and Structure Factors II Intensities and Intensity Statistics.- 4 I Optical and X-ray Examination of Crystals II Measurement of Intensity Data from Single Crystals.- 5 Fourier Series and Fourier Transforms.- 6 Fourier Techniques in X-ray Structure Determination.- 7 Direct Methods and Refinement.- 8 Examples of Crystal Structure Determination.- 9 X-ray Structure Determination with Powders.- 10 Proteins and Macromolecular X-ray Analysis.- 11 Computer-Aided Crystallography.- Appendices.- Al Stereoviews and Crystal Models.- Al.l Stereoviews.- A1.2 Model of a Tetragonal Crystal.- A2 Analytical Geometry of Direction Cosines.- A2.1 Direction Cosines of a Line.- A2.2 Angle between Two Lines.- A3 Schönflies’ Symmetry Notation.- A3.1 Alternating Axis of Symmetry.- A3.2 Notation.- A4 Rotation Matrices.- A5 Spherical Trigonometry.- A5.1 Spherical Triangle.- A5.2 Polar Triangle.- A6 Trigonometrical Formulae.- A7 Cartesian Coordinates.- A7.1 Cartesian to Crystallographic Transformation and its Inverse.- A9 Gamma Function.- A10 Crystallographic Software.- A10.1 Single Crystal Suites.- Platon/System S for UNIX.- SIR97 for MS-Windows and UNIX.- WinGX for Windows.- A 10.2 Single Crystal Structure Solution Programs CAOS (Crystal Analysis Operating System) for MS-Windows and UNIX.- CRYSTALS (11) for MS-Windows.- DIRDIF for PC/DOS and UNIX.- MULTAN Source Code.- PATSEE for PC/DOS and UNIX.- SHELXS86/SHELXS97/SHELXD.- SIR88/92/SIR97/SIR2001.- SnB (Shake “n” Bake).- A10.3 Single Crystal Twinning Software.- TWIN 3.0 for Windows.- TwinRotMac.- A10.4 Freestanding Structure Visualization Software.- ORTEP-III.- A 10.5 Powder Diffraction Data: Powder Indexing Suites (Dedicated andOther).- Checkcell for Windows.- CRYSFIRE for DOS.- DICVOL91.- FJZN.- IT013 source code and MS-Windows binary.- Kohl/TMO.- LOSH/LZON.- TAUP/Powder.- TREOR90 source code and MS-Windows binary.- A10.6 Powder Pattern Decomposition.- ALLHKL.- WPPF.- A 10.7 Structure Solution from Powder Diffraction Data.- ESPOIR source code, DOS, Windows, and Linux binaries.- EXPO source code, Windows, and UNIX binaries.- FOCUS.- FullProffor DOS, Windows, and Linux.- GSAS for Windows, Linux, and SGI IRIX.- Profil for VMS, DOS and UNIX.- Rietan GPL’D Fortran source code, Mac, UNIX, and Linux binaries.- SIRPOW.- XRS-82/DLS source code.- A10.8 Software for Macromolecular Crystallography.- Data Processing.- Fourier and Structure Factor Calculations.- Molecular Replacement.- Single and Multiple Isomorphous Replacement.- Software for Packing and Molecular Geometry.- Software for Graphics and Model Building.- Software for Molecular Graphics and Display.- SETOR.- Software for Refinement.- Software for Molecular Dynamics and Energy Minimization.- Data Bases.- Synchrotrons Web Page.- Tutorial Solutions.- Solutions 1.- Solutions 2.- Solutions 3.- Solutions 4.- Solutions 5.- Solutions 6.- Solutions?.- Solutions 8.- Solutions 9.- Solutions 10.