Crystallographic resources

Crystallographic software list

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I2tif Mar image file to tiff converter.
I3D A VRML Browser for Engineering
IceX Menu-driven program to operate a two-circle diffractometer from a PC using parallel port for stepper motor driving and serial port for counter communication. The commands allow the user to control the diffractometer and collect the data. The program is supported by a data analysis program, IcePLOT which is especially written for the analysis of arm-zero measurements during a line-up.
IDATEN and G-SITENNO GUI-assisted software for coherent X-ray diffraction imaging experiments and data analyses at SACLA
IFO Program for Image-Reconstruction-Type Calculation of Atomic Distribution Functions; supplement to RAD.
IGOR Pro Reduction and analysis of small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS) data with graphical interface.
ILL Diffraction group software distribution: Lazy, xplored, mountmo, xtal-3d, etc..
IL MILIONE Suite of computer programs devoted to protein crystal structure determination by X-ray crystallography: (a) Ab initio phasing, via Patterson or direct methods. (b) Single or multiple isomorphous replacement, single- or multiple-wavelength anomalous diffraction, and single or multiple isomorphous replacement with anomalous scattering techniques. c) Molecular replacement.
Image NIH public domain image processing and analysis program
ImageTool UTHSCSA ImageTool (IT) is a free image processing and analysis program for Microsoft Windows 9x, Windows ME or Windows NT
ImgLab * 2D and 3D image processing optimized for SGI workstations * graphical network editor allows to solve complex image processing tasks by networks of simple operators * 2D image display with image and pixel information and animation for image sequences * 3D volume renderer with hardware acceleration (especially on systems with texture memory) * image data is processed on demand only * processing of tiled images to reduce memory requirements * parallel processing of image tiles on multi processor systems * online extensible with operators and file formats using shared libraries
IndED Tool for indexing the electron diffraction patters. For given lattice parameters, it calculates the most possible set of all symmetrically equivalent zones. It consists of two sub programs. IndEDr: For known lattice and unknown hkl, it calculates the possible zones using the ratio and the angle between the reciprocal points. IndEDhkl: For known lattice and pair of hkl types, it calculates all possible type of zones and angles which could readyly be transferred on the stereographic (Wulff) net.
INDEXINP Automatic generation of indexing input files, see CCP14
input4MAUD Program can be used for automatic input of two-dimensional diffraction image file series into MAUD, covering, for example, a single texture measurement or a batch. It also has the possibility of creating automated batch refinement jobs for MAUD.
INSTAT A computer program for ideal and non-ideal probability density functions of the magnitude of the normalized structure factor.
Institute_Pasteur_database Institute Pasteur database for software and URLs of interest
Interactive Crystallography Allows the user to choose from from among the 32 crystallographic point groups, enter the values of the relevant elastic constants, and view the resulting Young's Modulus representation surface. In order to use this package, you must have access to Xmaple and support for HTML forms
Interprobe Software for the handling of chemical structures
INTLDM Stand alone version of LAUEGEN to carry out the stages of processing Laue diffraction spots up to and including the integration of spot intensities.
ISIS/Draw Chemical structure drawing program.
ISODEC Program for the calculation of diffraction elastic constants for aggregates with and without preferred orientation. It also calculates stress from lattice strain and vice versa.
ISODISTORT Internet tool for exploring the structural distortion modes of crystalline materials. Provides a GUI to several packages within the ISOTROPY software suite, generates distortion modes induced by irreducible representations of the parent spacegroup symmetry, and also provides an interactive Java applet for visualizing and interactively manipulating the free parameters of each mode.
ISOTROPY The ISOTROPY software suite is a collection of software tools which applies group theoretical methods to the analysis of phase transitions in crystalline solids. It includes ISOTROPY, ISODISTORT, ISOCIF, FINDSYM, INVARIANTS, and other programs, as well as extensive tables of superspace groups, magnetic space groups and irreducible representations.
ITO Indexing, see CCP14
IUMSC Java graphics Java graphic demonstration for crystallography from IUMSC
IVTON Calculates geometrical parameters of crystal structures.