| 1. | GRASP | | | Display molecules and molecular surfaces, optionally representing a field (for example electrostatic) as local colors. Silicon Graphics (IRIX) platform.
trantor.bioc.columbia.edu |
| 2. | PROCHECK | | | Protein structure validation program. Unix platform.
www.biochem.ucl.ac.uk |
| 3. | SINCRIS | | | Database of software for crystallography.
www.lmcp.jussieu.fr |
| 5. | SnB | | | A computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining crystal structures from X-ray diffraction data.
www.hwi.buffalo.edu |
| 6. | Crystal Studio | | | Display and manipulation of crystal structures and simulation of diffraction patterns. Windows 95/98/NT platform.
www.crystalsoftcorp.com |
| 7. | Jana2000 | | | System for solving and refinement of regular, modulated and composite structures from monocrystal and powder diffraction data.
www-xray.fzu.cz |
| 8. | PLATON | | | A versatile crystallographic program implementing a large variety of standard geometrical calculations, tests, utilities, graphics and several filters. Unix and Windows platforms.
www.cryst.chem.uu.nl |
| 9. | HKL | | | The triad of Denzo, XDisplayF and Scalepack: programs to visualize and interpret X-ray diffraction images.
www.hkl-xray.com |
| 11. | CrystalDesigner | | | is a tool for building, studying and visualizing all kinds of crystal structures (Macintosh OS)
www.crystaldesigner.no |
| 12. | CrystalMaker Software | | | Real-time photo-realistic crystal structures program for Macintosh. Download a demo version - plus our free diffraction software and QuickTime VR movies.
www.crystalmaker.co.uk |
| 13. | Crystals | | | software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS.
www.xtl.ox.ac.uk |
| 15. | SPEC / Certified Scientific Software | | | a UNIX-based software package for instrument control and data acquisition used for X-ray diffraction at synchrotrons and in university, national and industrial laboratories.
www.certif.com |
| 16. | Ca.R.Ine Crystallography | | | 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 lattices and stereographic projections all at the same time in a multi-windowed interface.
pro.wanadoo.fr |
| 17. | The Richardsons' 3D Protein Structure Laboratory and Kinemage Homepage | | | Software and methods source for molecular model visualization (Mage, JavaMage, Prekin); model validation via all-atom contact analysis (Probe, Reduce, MolProbity) and utility (Kincontour, Dang, Cluster, Bndlst, Atvol). Amino acid rotamers database for model building. Kinemages for instruction and research.
kinemage.biochem.duke.edu |
| 18. | ESPOIR | | | Open source software for solving crystal structures from powder diffraction data (or single crystal data) by Monte Carlo methods.
www.cristal.org |
| 19. | KPLOT | | | Multi-purpose tool for crystal structure visualization and analysis, free download, available for Windows and Linux
www.crystalimpact.de |
| 20. | ARITVE | | | Modelling amorphous structures by a Rietveld-type refinement of the atomic coordinates. Windows 9x/NT platform.
www.cristal.org |
| 21. | CAOS | | | A crystallographic package for crystal structure determination from single crystal diffraction data.
www.ccp14.ac.uk |
| 22. | TOPXD | | | Topological analysis program for experimental static electron density based on Hansen-Coppens multipole formalism.
harker.chem.buffalo.edu |
| 23. | 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.
www.crystal.chem.uu.nl |
| 24. | SHELX-97 | | | Set of programs for crystal structure determination from single-crystal diffraction data. Runs on all systems including DOS.
shelx.uni-ac.gwdg.de |
| 25. | Amira | | | An advanced 3D visualization and modeling system, especially useful for displaying 3D image data and simulation results. Powerful segmentation tools and automatic geometry reconstruction help to generate surface models (e.g. VRML) from 3D image data.
www.amiravis.com |
| 26. | FOX | | | A free, open-source program for the global optimization of crystal structures from powder diffraction data.
objcryst.sourceforge.net |
| 27. | SHARP | | | A computer program for refining a model of isomorphous heavy-atom substitution and calculating phase probabilities from it. Irix and Linux platforms.
www.globalphasing.com |
| 28. | PATSEE | | | Program for location of a fragment of known geometry by integrated Patterson, packing, and direct methods.
www.chemie.uni-frankfurt.de |
| 29. | PCMolecule2 and MacMolecule2 | | | Software for molecular visualization in biology, chemistry and biochemistry education. MacOS and Windows platforms.
www.blc.arizona.edu |
| 30. | 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 - program for radial-distribution-function analysis of energy-dispersive X-ray diffraction data from disordered materials. IFO - program for image-reconstruction-type calculation of atomic distribution functions for disordered materials.
www.pa.msu.edu |
| 31. | GSAS | | | Set of programs for the processing and analysis of both single crystal and powder diffraction data.
www.ncnr.nist.gov |
| 32. | 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 or liquid crystals, or small-angle scattering from colloids, polymers, gels, or solutions. Runs on PC, Mac, Linux.
www.datasqueezesoftware.com |
| 33. | LCC Soft | | | Processing of X-Ray crystallographic data. Window based user interface, which allows easy navigation between program controls and fast reading of program output. Windows 2000/XP platform.
www.lccsoft.org |
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