| CCP14_-_Collaborative_Computational_Project_Number_14 Freely available crystallographic software for single crystal and powder diffraction. |
| ConvX A programm for converting between different X-ray powder diffraction file formats. Windows platform. |
| Crystal_Studio Display and manipulation of crystal structures and simulation of diffraction patterns. Windows 95/98/NT platform. |
| Crystal_Web Java applet for calculating d-spacings and interplanar angles for a given mineral. |
| CrystalDesigner Tool for building, studying and visualizing all kinds of crystal structures. MacOS platform. |
| Crystallographic_Computer_Programs_by_M__Nardelli 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. |
| CrystalMaker_Software A real-time photo-realistic crystal structures program. Download a demo version, free diffraction software, and QuickTime VR movies. Windows and Mac platform. |
| Crystals The software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS. |
| Datasqueeze_Software 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 scattering from polymers |
| Debyer The program takes as an input a file with atom positions and can output X-ray and neutron powder diffraction pattern, total scattering structure function, pair distribution function and related functi |
| Diamond_-_Visual_Crystal_Structure_Information_System an MS Windows application for the exploration and drawing of crystal structures. |
| DIRDIF A computer program system for crystal structure determination by Patterson methods and direct methods applied to difference structure factors. |
| enCIFer Intuitive, user-friendly graphical program for CIF checking, editing and visualisation. Windows, Linux and Solaris platform. |
| Endeavour A program designed for the solution of crystal structures from powder diffraction data. Its concept implies a combined global optimization of the difference between the calculated and measured diffrac |
| ESPOIR Open source software for solving crystal structures from powder diffraction data (or single crystal data) by Monte Carlo methods. |
| EUHEDRAL Refinement of crystal shape against the intensities of multiple measured reflections coming from redundant area detector data for an analytical absorption correction. Needs the PLATON package. |
| FOX A free, open-source program for the global optimization of crystal structures from powder diffraction data. |
| GRASP Display molecules and molecular surfaces, optionally representing a field (for example electrostatic) as local colors. Silicon Graphics (IRIX) platform. |
| GSAS Set of programs for the processing and analysis of both single crystal and powder diffraction data. |
| HKL The triad of Denzo, XDisplayF and Scalepack: programs to visualize and interpret X-ray diffraction images. |
| Isodisplace An interactive tool for generating, visualizing, and manipulating the structural distortion modes of crystalline materials. |
| Jana2000 System for solving and refinement of regular, modulated and composite structures from monocrystal and powder diffraction data. |
| Kcristal A live-CD of the GNU/Linux mounted with the importants programs of crystallography for the powder methods. |
| KPLOT Multi-purpose tool for crystal structure visualization and analysis, free download, available for Windows and Linux |
| LaboTex 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, mod |
| Mercury Offers a comprehensive range of tools for structure visualisation and the exploration of crystal packing. Free download, available for Windows, AIX, IRIX, Linux and Solaris. |
| ORTEP-III The Oak Ridge Thermal Ellipsoid Plot (ORTEP) program is a computer program, written in Fortran, for drawing crystal structure illustrations. |
| Oscail_X Windows Software for Crystallography and Molecular Modelling from National University of Ireland. |
| PATSEE Program for location of a fragment of known geometry by integrated Patterson, packing, and direct methods. |
| PCMolecule2_and_MacMolecule2 Software for molecular visualization in biology, chemistry and biochemistry education. MacOS and Windows platforms. |
| PLATON A versatile crystallographic program implementing a large variety of standard geometrical calculations, tests, utilities, graphics and several filters. Unix and Windows platforms. |
| Powder3D A multi-pattern data reduction and graphical presentation software. |
| PowDLL 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). |
| PROCHECK Protein structure validation program. Unix platform. |
| Queen_of_Spades Implementation of a Molecular Replacement method which simultaneously determines the rotational and translational parameters of all copies of a search model in the crystallographic asymmetric unit of |
| RAD,_FIT,_PEDX,_IFO 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 correlation functions. PEDX |
| Richardson_Lab_Web_Site__3D_Analysis_Software Software and methods source for molecular model visualization, model validation via all-atom contact analysis and utility. Linux, Mac, SGI, Sun, and Windows platforms. |
| RPluto An X-windows tool for visualising molecular crystal structures on UNIX (including Linux) platforms. |
| ScanOrient Research and education tool for quickly orientating and indexing back-reflection Laue patterns from Polaroid films. Windows platform. |
| SHARP A computer program for refining a model of isomorphous heavy-atom substitution and calculating phase probabilities from it. Irix and Linux platforms. |
| SHELX-97 Set of programs for crystal structure determination from single-crystal diffraction data. Runs on all systems including DOS. |
| SINCRIS Database of software for crystallography. |
| SIR97/SIR2002/SIR2004 Programs for solution and refinement of crystal structures by direct and Patterson methods using single crystal data. Unix and Windows platform. |
| SNAP_Software 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 visualise the result |
| SnB A computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining crystal structures from X-ray diffraction data. |
| SPEC_/_Certified_Scientific_Software A UNIX-based software package for instrument control and data acquisition used for X-ray diffraction laboratories. |
| TOPOS A program package for multipurpose geometrical and topological analysis of crystal structures. It works with crystal structure databases. |
| TOPXD Topological analysis program for experimental static electron density based on Hansen-Coppens multipole formalism. |
| UMWEG_and_PSILAM Programs for calculation and graphical representation of multiple diffraction patterns. |
| Uppsala_Software_Factory Software for macromolecular crystallography and structural biology. Many of these programs collaborate with "O" (see there). |
| WinGX System of programs for solving, refining and analysing single crystal X-ray diffraction data for small molecules. Provides a consistent and user-friendly GUI for some of the best publicly-available cr |
| XAct An application that can be used to construct, maintain, and record the results of many crystallisation experiments. |
| XPowder A program for qualitative (PDF2 data base) and least-square full-profile quantitative analysis of phases in crystaline and amorphous powder samples by X-Ray diffraction. Windows platform. |
| Xtal A package of over sixty programs for calculations ranging from the reduction of raw diffraction intensities, to the solution, refinement and publication of crystal structures. These are applicable to |
| AIP_Physics_News Once a week the American Institute of Physics sums up the latest advances in physics, from cosmology to nanotubes. Browse past issues, search for particular topics, and sign up to receive the news vi |
| AIP_Physics_News_Update Biweekly newsletter of new developments in physics for the general public. |
| Book_Reviews_by_Danny_Yee A small but steadily growing collection of reviews of physics books. |
| Colutron_Research Text books on atmospheric electrostatics and cosmology are available for free download. |
| Computing_in_Science_and_Engineering A joint publication of the IEEE Computer Society and the American Institute of Physics. It covers computational science and engineering research for a b |
| Electronic_Journal_of_Theoretical_Physics_(EJTP) Electronic Journal of Theoretical Physics |
| Elsevier_Physics A web database with more than 80 Elsevier science journals with peer reviewed articles on Astronomy & Astrophysics, Condensed Matter, Nuclear and High Energy Physics, Nonlinear, Statistical & |
| Hiram\'s_Physics_Page Lists of journal publishers in physics. |
| Institute_of_Physics_Publishing Books on physics. Searchable catalogue, online ordering, author services. |
| Journals_of_the_American_Physical_Society_(APS) A large archive with plans to digitize Phys Rev from 1893. (Requires subscription) |
| Lasers,_Optoelectronics,_Optoelectronic_materials,_Papers A list of all of the important papers of Ph. Dr S.M. Kaczmarek on crystal growth, lasers and spectroscopy of optoelectronic materials. |
| Nature_Physics_Portal Physics news and research papers, a showcase of science articles that Nature is publishing in, and about, physics. Astrophysics, and spectroscopy. |
