Software

ARITVE

cristal.org

Modelling amorphous structures by a Rietveld-type refinement of the atomic coordinates. Windows 9x/NT platform.

466 visits Jun 22, 2025 Details

AutoDock

scripps.edu

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

28 visits Oct 26, 2025 Details

Bond Valence Wizard

orlov.ch

A program for prediction of interatomic distances in crystal structures.

474 visits Feb 17, 2025 Details

CCP4

dl.ac.uk

Comprehensive computing suite for protein crystallography. VMS and Unix platforms.

225 visits Feb 7, 2024 Details

Crystal Web

public.asu.edu

Java applet for calculating d-spacings and interplanar angles for a given mineral.

330 visits Sep 29, 2024 Details

CrystalDesigner

crystaldesigner.no

Tool for building, studying and visualizing all kinds of crystal structures. MacOS platform.

153 visits May 31, 2024 Details

Crystals

xtl.ox.ac.uk

The software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS.

467 visits Apr 14, 2026 Details

Datasqueeze Software

datasqueezesoftware.com

A graphical interface for analyzing data from 2D X-ray diffraction detectors (wire, image plate, CCD). Particularly useful for the analysis of powder diffraction data, diffuse scat…

174 visits Aug 6, 2024 Details

ESPOIR

cristal.org

Open source software for solving crystal structures from powder diffraction data (or single crystal data) by Monte Carlo methods.

159 visits Jul 31, 2024 Details

EUHEDRAL

crystal.chem.uu.nl

Refinement of crystal shape against the intensities of multiple measured reflections coming from redundant area detector data for an analytical absorption correction. Needs the PLA…

428 visits Sep 1, 2025 Details

Isodisplace

stokes.byu.edu

An interactive tool for generating, visualizing, and manipulating the structural distortion modes of crystalline materials.

365 visits May 7, 2024 Details

KPLOT

crystalimpact.de

Multi-purpose tool for crystal structure visualization and analysis, free download, available for Windows and Linux

89 visits Dec 10, 2025 Details

LaboTex

labosoft.com.pl

Qualitative and quantitative analysis of crystallographic textures. ODF calculation using both types of experimental data - pole figures (X-ray, neutrons) or sets of individual ori…

408 visits Jun 22, 2024 Details

PLATON

cryst.chem.uu.nl

A versatile crystallographic program implementing a large variety of standard geometrical calculations, tests, utilities, graphics and several filters. Unix and Windows platforms.

448 visits May 21, 2025 Details

PowDLL

users.uoi.gr

A .NET dynamic link library used for the interconversion procedure between variable formats of Powder X-Ray files. The DLL is capable of handling 14 file formats (binary and ASCII)…

317 visits Sep 14, 2025 Details

RAD, FIT, PEDX, IFO

pa.msu.edu

RAD - program for analysis of X-ray diffraction data from amorphous materials. FIT - program for decomposition of powder diffraction patterns and profile analysis of pair correlat…

163 visits Oct 16, 2025 Details

SIR97

ic.cnr.it

Integrated package of computer programs for the solution and refinement of crystal structures using single crystal data. Unix and Windows platform.

22 visits Jan 27, 2024 Details

SNAP Software

chem.gla.ac.uk

Software packages designed to match and analyse powder diffraction patterns utilising their full profiles; dSNAP is a new software package to help users automatically classify and …

255 visits May 30, 2025 Details

SnB

hwi.buffalo.edu

A computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining crystal structures from X-ray diffraction data.

432 visits Apr 29, 2025 Details

SPEC / Certified Scientific Software

certif.com

A UNIX-based software package for instrument control and data acquisition used for X-ray diffraction laboratories.

158 visits Apr 9, 2025 Details

Software

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