Crystallographic resources

Crystallographic software list

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O Protein crystallographic modelling program
OASIS Breaks the phase ambiguity in one-wavelength anomalous scattering (OAS) or single isomorphous replacement (SIR) (substitution) protein data. The phase problem is reduced to a sign problem once the anomalous-scatterer or the replacing-heavy-atom sites are located. Applies a direct method procedure to break the phase ambiguity intrinsic to OAS or SIR data.
ObjCryst++ Object oriented Crystallographic Library
OctaDist Calculate the octahedral distortion parameters of coordinate complexes.
Olex Visualisation and topological analysis of the extended structures. The user can also measure bond lengths, interatomic distances, angles between bonds and planes; create centroids and more.
Optical constants software optical constants software
Orientation Library Collection of routines for rotation/orientation calculations. (i) Description of orientations via Euler angles, rotation matrix, quaternions... (ii) Generation of orientations. (iii) Calculation with orientations: change in frame, symmetry, disorientations, orientation averaging.
OrientExpress To orient a single crystal of known unit cell dimensions from a single Laue pattern. This pattern can be registered on a flat or cylindrical detector : X Rays film, two-dimentional sensitive detector, bitmap picture. The program was succesfully applied to X rays (normal wavelength and hard X rays) and neutrons experiments, as well as to every sort mineral, organic and protein) of crystals.
ORNL-SAS Calculates solution small-angle X-ray and neutron scattering intensity profiles from a wide variety of structures, including atomic-resolution models of proteins and protein complexes, low-resolution models defined in any manner, or combinations of both.
ORTEP ORTEP III, the Oak Ridge Thermal Ellipsoid Plot for drawing crystal structure illustrations. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids, derived from anisotropic temperature factor parameters, on the atomic sites.
Ortep-3 for Windows Ortep-3 for Windows is a GUI based version of ORTEP-III, with several extra facilities including mouse labelling and facilities for directly reading SHELX, CIF, CSD-FDAT, CRYSTALS, GX, SPF format atomic coordinate file.
ORTEX Study and display of crystal structures, thermal ellipsoid plots, mouse based interactive editing of Shelx files with auto atom sort. RASTEP and 0RENDER have 0been added to the system giving realistic rendered 3D pictures from the same view as ORTEX direct from Shelx.INS files.
ORTHON Transforms any non-orthonormal cell data and atomic coordinates to orthonormal data.
Oscail Oscail acts like a shell program setting the Jobname and Current directory and running any of ABSEN, GENINS, SHELXS-86, SHELXS-97, SHELXL-97-2 and Superflip. ORTEX (includes GUI for Shelx file edit) and POGL (OpenGL) and Raster3D (photorealism and movies). Oscail requires WINxp, Vista or WIN7.
Oucy Visualisation of crystalline structures with a simple and easy to use navigation system. Features all of the most important crystalline structures such as Body-Centered Cubic, Face-Centered Cubic and others.
Ovione Vector-search rotation-function program intended for macromolecular crystal-structure determination by the molecular-replacement method.
Oxford Protein Programmes - Information