Software Directory

Cell symetry checking, see CCP14.

DIFFTECH Powder X-ray Diffraction Software

General purpose program for the simulation of white beam Laue topographs.

TreeView

indexing, see CCP14.

A full understanding of a structure can only be obtained from a three dimensional reconstruction of the structure. Our 3-dimensional programs TriMerge and TriView allow the 3-dimensional reconstruction of a structure from a tilt series of electron micrograph images, and the visualisation on the PC screen.

Triple is used for processing diffraction intensities, obtained from either electron diffraction or X-ray diffraction or from amplitudes and phases obtained from high resolution electron microscopy images.

Image processing by Fourier transforms and wavelets.

TriView for the 3-dimensional reconstruction of a structure on a PC. TriView gives PC users access to visualisation techniques normally only available on expensive workstations, and advanced programming ensures rapid response times, even on a PC.

Helps in crystal structure analysis of hard problems, with many atoms and few diffraction data, from the early stages (getting the correct model by trial), to the refinement stage.

General purpose molecular modelling environment to model de novo macromolecules, polypeptides as well as nucleic acids, to build such macromolecules from experimental 3-D data obtained from X-ray crystallography and NMR and to display the resulting models using various representations including Van der Waals and Connolly's molecular dot surfaces as well as spline surfaces. For Linux and HPUX use the Turbo Frodo X version.

2D analysis of paramagentic diffuse neutron scattering data. Program by Jens-Uwe Hoffmann and Rainer Schneider at HMI Berlin.

The principle features of Twin3.0 for Windows are: 1. Single crystal data sets can be tested if they are subject to twinning by merohedry; 2.The volume fractions of the different twin domains can be estimated.

A small software to compute the angle between corresponding directions in a twinned crystal from a known twin element or vice versa.

A program for advanced data collection and evaluation in full-field transmission X-ray microscopy.

Calculation and graphical representation of multiple diffraction patterns (Renninger-scans).

Lattice-dynamical investigations. Tool for phenomenological model calculations and optimisation of experiments. Calculate and display modes of lattice vibrations

Refines cell parameters from powder diffraction data. Unlike most existing cell refinement programs it does not require initial estimates for cell constants. Incorporates regression diagnostics.

Uppsala Software Factory. Manuals for (most of) Gerard's programs and links to other useful O or O-related information, programs and resources.

Package for X-ray Absorption Fine Structure (XAFS)