Scanned (no OCR at Present) to ensure accuracy of the text

Title Page

• Titlepage
  • A Collection of Compatible Programs for Crystal Structure Determination by C.J. Gilmore, P.R. Mallinson and K.W. Muir.

Disclaimer and Table of Contents

• Disclaimer
  • Disclaimer.
• --1--
  • Tables of Contents 1 - 7
• --2--
  • Tables of Contents 7 - end.

1. Introduction to GX

• Page_ 1
  • 1-1. File and Program Organisation.
• Page_ 2
  • Text.
• Page_ 3
  • Figure 1-1 : The GX flow chart.
• Page_ 4
  • 1-2. The Crystal Model File - Tilte, Cell, Cellsd, Lambda, Latt, Symm...
• Page_ 5
  • Sfac, Contents...
• Page_ 6
  • Scale, Extinctn, Eta.
• Page_ 7
  • Text.
• Page_ 8
  • Text.

2. Operations on the Reflection Data and Crystal Model - Programs SORT, XYZ, ABSORB , DIFABS and CAD4

• Page_ 9
  • 2-1. SORT Program - 2-2. XYZ Program.
• Page 10
  • 2-3. ABSORB Program.
• Page 11
  • 2-4. DIFABS Program.
• Page 12
  • 2-5. CAD4 Program.
• Page 13
  • Program commands...
• Page 14
  • Program commands...
• Page 15
  • Program commands.

3. Direct Methods - Program Mithril

• Page 16
  • Program MITHRIL description.

4. Fourier Maps and Peak-Searching - Programs FFT and SEARCH

• Page 17
  • 4-1. The Fourier Program.
• Page 18
  • 4-2. SEARCH Program Commands.
• Page 19
  • Program commands - Notes.

5. BLOCK Program Commands

• Page 20
  • 5-1. Introduction.
• Page 21
  • 5-2. BLOCK Program Commands.
• Page 22
  • 5-3. RBLS Program Commands.
• Page 23
  • Program commands.
• Page 24
  • 5-4. Examples.
• Page 25
  • 5-5. WTANAL Program - 5-6. FTAB Program.

6. Molecular Geometry - Program GEOM

• Page 26
  • 6-1. Introduction - 6-2. Program Commands.
• Page 27
  • Program commands...
• Page 28
  • Program commands...
• Page 29
  • Program commands.

7. Crystal Structure Illustrations - Interactive ORTEP

• Page 30
  • 7-1. Introduction - 7-2. Commands concernerd with composing the illustration.
• Page 31
  • Program commands...
• Page 32
  • Program commands.
• Page 33
  • 7-3. Commands used to draw the illustration.
• Page 34
  • 7-4. Device and program control commands.
• Page 35
  • Program commands.
• Page 36
  • 7-5. Examples.
    • 7.5.1: Single molecule with line bonds and atom labels.
    • 7.5.2: Ball-and-spoke molecule with different atomic styles and colours.
• Page 37
  • Examples.
    • 7.5.3: Red-green stereo view of unit cell contents.
    • 7.5.4: Small-scale side-by-side stereo pair.
• Page 38
  • Examples.
• Page 39
  • Figure 7-1. The output from example 7.5.1.
• Page 40
  • Figure 7-2. The output from example 7.5.2.
• Page 41
  • Figure 7-3. The output from example 7.5.3.

8. Installing, Modifying and Extending the GX Package

• Page 42
  • 8-1. The Subroutine Library.
    • 8.1.1: Model file input/output routines.
• Page 43
  • Program.
• Page 44
  • The Subroutine Library.
    • 8.1.2: Free-format input routines.
• Page 45
  • The Subroutine Library.
    • 8.1.3: Low-level interface routines for Tektronix 4010-type devices.
• Page 46
  • Program.
• Page 47
  • 8-2. Compiling and Linking.
    • 8.2.1: Setting the physical constants of ORTEP's graphical devices.
• Page 48
  • Compiling and Linking.
    • 8.2.2: Using ORTEP with CALCOMP software.
• Page 49
  • Compiling and Linking.
    • 8.2.3: Using ORTEP with a graphics display.