Software

Amira

amiravis.com

An advanced 3D visualization and modeling system, especially useful for displaying 3D image data and simulation results. Powerful segmentation tools and automatic geometry reconstr…

438 visits Feb 24, 2025 Details

ARITVE

cristal.org

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

465 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.

27 visits Oct 26, 2025 Details

Bond Valence Wizard

orlov.ch

A program for prediction of interatomic distances in crystal structures.

473 visits Feb 17, 2025 Details

BUSTER-TNT

globalphasing.com

A software system for crystallographic structure determination by Bayesian statistical methods. Irix and Linux platforms.

494 visits Mar 7, 2024 Details

CAOS

ccp14.ac.uk

A crystallographic package for crystal structure determination from single crystal diffraction data.

63 visits Nov 6, 2025 Details

CaRIne Crystallography

pro.wanadoo.fr

CaRIne is used for teaching crystallography and for research in materials science, chemistry and earth sciences. It brings real lattices, X-Ray diffraction diagrams, reciprocal lat…

380 visits Mar 21, 2026 Details

CCP14 - Collaborative Computational Project Number 14

ccp14.ac.uk

Freely available crystallographic software for single crystal and powder diffraction.

232 visits Mar 4, 2026 Details

CCP4

dl.ac.uk

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

224 visits Feb 7, 2024 Details

ConvX

ccp14.ac.uk

A programm for converting between different X-ray powder diffraction file formats. Windows platform.

315 visits Jan 9, 2024 Details

Crystal Studio

crystalsoftcorp.com

Display and manipulation of crystal structures and simulation of diffraction patterns. Windows 95/98/NT platform.

273 visits Jun 24, 2025 Details

Crystal Web

public.asu.edu

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

328 visits Sep 29, 2024 Details

CrystalDesigner

crystaldesigner.no

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

152 visits May 31, 2024 Details

Crystallographic Computer Programs by M. Nardelli

unipr.it

Several programs used in the analysis and handling of diffraction data and atomic parameters from molecular compounds. Fortran sources and binaries for DOS and Silicon Graphics.

213 visits Jul 28, 2024 Details

CrystalMaker Software

crystalmaker.com

A real-time photo-realistic crystal structures program. Download a demo version, free diffraction software, and QuickTime VR movies. Windows and Mac platform.

322 visits Sep 12, 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.

466 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…

172 visits Aug 6, 2024 Details

Diamond - Visual Crystal Structure Information System

crystalimpact.com

an MS Windows application for the exploration and drawing of crystal structures.

340 visits Aug 20, 2024 Details

DIRDIF

xtal.sci.ru.nl

A computer program system for crystal structure determination by Patterson methods and direct methods applied to difference structure factors.

40 visits May 7, 2026 Details

enCIFer

ccdc.cam.ac.uk

Intuitive, user-friendly graphical program for CIF checking, editing and visualisation. Windows, Linux and Solaris platform.

319 visits Mar 14, 2026 Details

Category Info