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Fast Fourier Transforms FFT *(8) Software for Molecular Biology *(25)
Molecular Modeling *(62)  

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AutoDock - A suite of automated docking tools. It is designed to predict how small flexible molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
CCP4 - Comprehensive computing suite for protein crystallography. VMS and Unix platforms.
Crystal Structure Design - CrystalDesigner 6.0.3 is a tool for building, studying and visualizing all kinds of crystal structures.
Crystal Studio - Display and manipulation of crystal structures and simulation of diffraction patterns. Windows 95/98/NT platform.
CrystalMaker Software - Real-time photo-realistic crystal structures program for Macintosh. Download a demo version - plus our free diffraction software and QuickTime VR movies.
Crystals - a software suite for single crystal X-ray structure analysis. Recently enhanced with a graphical user interface.
GRASP - Display molecules and molecular surfaces, optionally representing a field (for example electrostatic) as local colors. Silicon Graphics (IRIX) platform.
HKL - The triad of Denzo, XDisplayF and Scalepack: programs to visualize and interpret X-ray diffraction images.
LaboTex - The Texture Analysis Software for Windows (95/98/NT) - Qualitative and quantitative analysis of crystallographic textures. ODF calculation using both types of experimental data : pole figures (X-Ray,neutrons) or sets of individual orientations (EBSD,model calculations).
Neutron Diffraction - Simple program for searching motive of magnetic structure by using a basal functions of irreducible representations. Win95/98/NT.
O - Directory of information for users of the "O" crystallographic package to model, display and build macromolecules. Silicon Graphics (IRIX) and Linux platform.
ORTEP-III - Oak Ridge Thermal Ellipsoid Plot Program for Crystal Structure Illustrations - The Oak Ridge Thermal Ellipsoid Plot (ORTEP) program is a computer program, written in Fortran, for drawing crystal structure illustrations.
PROCHECK - Protein structure validation program. Unix platform.
Platon - Program for analysis, verification, and display of organic and organo-metallic crystal structures. Unix and Windows platform.
SINCRIS - Database of software for crystallography.
SnB - Solve crystal structures using the Shake-and-Bake algorithm. Unix platform.
Uppsala Software Factory - Software for macromolecular crystallography and structural biology. Many of these programs collaborate with "O" (see there).
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