Crystallography
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- Oscail X
- Windows Software for Crystallography and Molecular Modelling from National University of Ireland.
- 62
- PLATON
- A versatile crystallographic program implementing a large variety of standard geometrical calculations, tests, utilities, graphics and several filters. Unix and Windows platforms.
- 63
- Phenix
- Software suite for the automated determination of macromolecular structures using X-ray crystallography and other methods.
- 64
- 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).
- 65
- ReX
- A program based on the Rietveld method that allows to perform quantitative and structural analyses starting from powder diffraction data. Windows, Mac and Linux platforms.
- 66
- 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.
- 67
- SHARP
- A computer program for refining a model of isomorphous heavy-atom substitution and calculating phase probabilities from it. Irix and Linux platforms.
- 68
- SHELX-97
- Set of programs for crystal structure determination from single-crystal diffraction data. Runs on all systems including DOS.
- 69
- 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 results of database searches using the CSD.
- 70
- SPEC / Certified Scientific Software
- A UNIX-based software package for instrument control and data acquisition used for X-ray diffraction laboratories.
- 71
- TOPXD
- Topological analysis program for experimental static electron density based on Hansen-Coppens multipole formalism.
- 72
- The Area Diffraction Machine
- The project homepage of the Area Diffraction Machine, an open source program for performing general two dimensional diffraction data analysis.
- 74
- 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.
- 75
- 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 X-ray, neutron and electron diffraction analyses, including charge density studies. The package contains interactive graphics tools and is available as execution modules for most common platforms.