- Amira
Advanced 3D data visualization and reconstruction software for microscopy, biology, medicine, and engineering, with powerful automatic and interactive segmentation tools support processing of 3D image data. Fast and robust reconstruction algorithms make it easy to create polygonal models from segmented objects.
http://www.amiravis.com/
(Added: Mon Apr 03 2006 Rating: 0.00 Votes: 0)
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- ARITVE
Modelling amorphous structures by a Rietveld-type refinement of the atomic coordinates. Windows 9x/NT platform.
http://www.cristal.org/aritve.html
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- AutoDock
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.
http://www.scripps.edu/pub/olson-web/doc/autodock/
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- Bond Valence Wizard
A program for prediction of interatomic distances in crystal structures.
http://orlov.ch/bondval/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- BUSTER-TNT
A software system for crystallographic structure determination by Bayesian statistical methods. Irix and Linux platforms.
http://www.globalphasing.com/buster/
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- CAOS
A crystallographic package for crystal structure determination from single crystal diffraction data.
http://www.ccp14.ac.uk/ccp/web-mirrors/caos/isc/caos/
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- CaRIne 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.
http://pro.wanadoo.fr/carine.crystallography/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- CCP14 - Collaborative Computational Project Number 14
Freely available crystallographic software for single crystal and powder diffraction.
http://www.ccp14.ac.uk
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- CCP4
Comprehensive computing suite for protein crystallography. VMS and Unix platforms.
http://www.dl.ac.uk/CCP/CCP4/main.html
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- ConvX
A programm for converting between different X-ray powder diffraction file formats. Windows platform.
http://www.ccp14.ac.uk/ccp/web-mirrors/convx/
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- Crystal Studio
Display and manipulation of crystal structures and simulation of diffraction patterns. Windows 95/98/NT platform.
http://www.crystalsoftcorp.com/CrystalStudio/
(Added: Fri Mar 31 2006 Rating: 0.00 Votes: 0)
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- Crystal Web
Java applet for calculating d-spacings and interplanar angles for a given mineral.
http://www.public.asu.edu/~bdegreg/crystalweb.html
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- CrystalDesigner
Tool for building, studying and visualizing all kinds of crystal structures. MacOS platform.
http://www.crystaldesigner.no/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- 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.
http://www.unipr.it/~nardelli/software.html
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- CrystalMaker Software
Crystal structures visualization and diffraction software for Macintosh.
http://www.crystalmaker.com
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- 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.
http://www.xtl.ox.ac.uk/crystals.html
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- 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.
http://www.datasqueezesoftware.com
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- Diamond - Visual Crystal Structure Information System
an MS Windows application for the exploration and drawing of crystal structures.
http://www.crystalimpact.com/diamond
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- DIRDIF
A computer program system for crystal structure determination by Patterson methods and direct methods applied to difference structure factors.
http://www.xtal.sci.ru.nl/dirdif/software/dirdif.html
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- enCIFer
Intuitive, user-friendly graphical program for CIF checking, editing and visualisation. Windows, Linux and Solaris platform.
http://www.ccdc.cam.ac.uk/prods/encifer/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- 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 diffraction pattern and of the potential energy of the system.
http://www.crystalimpact.com/endeavour/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- ESPOIR
Open source software for solving crystal structures from powder diffraction data (or single crystal data) by Monte Carlo methods.
http://www.cristal.org/sdpd/espoir/
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
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- 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.
http://www.crystal.chem.uu.nl/distr/euhedral/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- FOX
A free, open-source program for the global optimization of crystal structures from powder diffraction data.
http://objcryst.sourceforge.net/Fox/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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- GRASP
Display molecules and molecular surfaces, optionally representing a field (for example electrostatic) as local colors. Silicon Graphics (IRIX) platform.
http://trantor.bioc.columbia.edu/grasp/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
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