chem cryst
CRYSTALS manual
University of Oxford

Index

ANALYSE
ANALYSE
ANISO
AXES
Analysis of thermal displacement parameters
Analysis of thermal displacement parameters
Angle calculations
Atom name syntax
Atom name syntax

BONDCALC
Best lines and planes
Best lines and planes

CAMERON
CIF
COLLECT
COMPOSITION
CONVERT
COPY 6 7
Calculation of interatomic bonds
Cameron - Add and Move
Cameron - Archiving and retrieving views
Cameron - Colour control
Cameron - Connectivity control
Cameron - Data Input
Cameron - Data output
Cameron - Distance and Angle Calculations
Cameron - Editing the atom list
Cameron - Group definitions
Cameron - How to get started
Cameron - How to stop the program
Cameron - Include and Exclude All
Cameron - Include and Exclude Area
Cameron - Include and Exclude Cell
Cameron - Include and Exclude Centroid
Cameron - Include and Exclude Dummy
Cameron - Include and Exclude Fragment
Cameron - Include and Exclude Group
Cameron - Include and Exclude Select
Cameron - Include and Exclude Switch
Cameron - Include and Exclude
Cameron - Information on data (meta data)
Cameron - Labelling atoms
Cameron - Mask and Unmask
Cameron - Misc picture control
Cameron - Miscellaneous commands
Cameron - OBEY files
Cameron - Output devies
Cameron - Packing commands
Cameron - Some useful ideas
Cameron - Style control
Cameron - Symmetry Input
Cameron - View direction control
Cell errors
Cell parameters
Centre of Gravity
Command syntax
Command types
Converting B[ij's] to U[ij's]
Copy List 6 to 7
Cutting reflection data

DIFABS
DISTANCES
Data reduction
Distance calculations

EDIT
Editing structural parameters
Element properties
Errors
Experimental details
External program links

F or Fsq data
FOURIER
Fourier limits
Fourier routines

GEOMETRY
GUI menus
GUI overview
General crystallographic data
Geometry calculations
Getting started

HYDROGENS
Hydrogen placement - automatic
Hydrogen placement

Immediate commands
Inertial Tensor
Input of atoms and other parameters
Intensity decay curves

LIST 1
LIST 10
LIST 12
LIST 13
LIST 14
LIST 16
LIST 2
LIST 23
LIST 27
LIST 28
LIST 29
LIST 3
LIST 30
LIST 4
LIST 5
LIST 6
LP
Least squares absorption corrrection
Librational tensor
Lines
List 31
Lists overview
Locating voids in the model

MERGE
MOLAX
Matrix Calculator
Merging reflection data
Molecular composition

Obsolete commands
Omitting reflections
Output of reflection data

PARAMETERS
PEAKS
PERHYDRO
Peaks list
Planes
Principal atomic displacement directions
Principal atomic displacement directions
Publication tables of atomic parameters
Publication tables of reflection data
Purge

QUICKSTART

REFLECTIONS
REGROUP
REGULARISE
Refinement - atomic parameters
Refinement - overall parameters
Refinement directives
Refinement
Reflection data format
Reflection data input - advanced
Reflection restriction
Regularisation of atomic groups
Removing systematic absences
Reorganising atoms and peaks
Repositioning atoms and peaks
Residual analysis
Residual analysis
Restraint directives
Retreiving old data lists

SFLS
SLANT
SPACEGROUP
SUMMARY
SYSTEMATIC
Scattering factors
Shrinking the contents of a dsc file
Slant Fourier calculation
Sorting reflection data
Space group input
Special position constraints
Special positions
Structure factor calculation control
Structure factor least squares calculation
Summary of data
Symmetry data
Syntax

THETABS
TORSION
Theta-dependent Absorption Correction
Torsion angles
Twinning
Twinning

VOIDS

Warnings
Weighting schemes

\BONDING
\Disk
\LIST 40
\Summary


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