Software Directory

The Q & D program collection represents some of the "quick and

A program for NEXAFS loading and analysis developed at the Australian Synchrotron

Software plugin to allow rapid and convenient visualization of X-ray diffraction images directly within the file browser, without the need for full-featured applications.

Software plugin to allow rapid and convenient visualization of Protein Data Bank files directly within the file browser, without the need for full-featured applications.

QuickPDB permits you to find and quickly review a macromolecular structure looking at interactions between sequence and structure.

Tool to reconstruct source data by tracing them from plotted diagrams

QuteMol is an open source (GPL), interactive, high quality molecular visualization system. QuteMol exploits the current GPU capabilites through OpenGL shaders to offers an array of innovative visual effects. QuteMol visualization techniques are aimed at improving clarity and an easier understanding of the 3D shape and structure of large molecules or complex proteins.

Radial distribution function analysis of X-ray diffraction data.

A program to allow the macroscopic modelling of an X-ray diffraction experiment for the purpose of better predicting radiation-damage progression. The distribution of dose within the crystal volume is calculated for a number of iterations in small angular steps across one or more data collection wedges, providing a time-resolved picture of the dose state of the crystal.

Characterization of samples using X-ray rocking curve data, by simulation of the diffracted intensity profile using a dynamic simulation package

molecular graphics visualisation tool

A program for photorealistic molecular graphics.

Averaging of electron-density maps softare from Gerard J. Kleywegt & T. Alwyn Jones

rocking curves of simple layer structures, curves of superlattices for 001, 111 and 220 oriented substrates. Part of Seifert package.

Simulates high-resolution diffraction (rocking) curves for practically any diffraction geometry. Simulation based on dynamical diffraction theory.

Creates restrictions sites. Andreas Becker (University of Marburg, Germany)

Single crystal data reduction program. Corrects Lp, absorption and background intensities. Applicable to any system. To single crystal spheres. Converts the uncorrected structure factors into Lp, absorption and background corrected structure factors. Similar to DATARED. GUI version as reducewin.

Program reduce - (similar to the program datared (program 10). If the input is in CAD-4 format, u can use this program. Single crystal data reduction program. Corrects Lp, absorption and background intensities. Applicable to any system. To single crystal spheres. Converts the uncorrected structure factors into Lp, absorption and background corrected structure factors. These programs can be downloaded and used without any charges and warranties. If you use any of these programs, just give me a mail (saragow@gmail.com) informing me which program you are using.

Program reduce - (similar to the program datared (program 10). If the input is in CAD-4 format, u can use this program. Single crystal data reduction program. Corrects Lp, absorption and background intensities. Applicable to any system. To single crystal spheres. Converts the uncorrected structure factors into Lp, absorption and background corrected structure factors. These programs can be downloaded and used without any charges and warranties. If you use any of these programs, just give me a mail (saragow@gmail.com) informing me which program you are using.

Yamamoto's software for modulated structures