ORTEP-3 for Windows

Ortep-3 for Windows is a MS-Windows version of the current release of ORTEP-III (1.0.3), which incorporates a Graphical User Interface (GUI) to make production of thermal ellipsoid plots much easier. Most of the commonly used features of ORTEP-III are directly available from the GUI. Loading a coordinate file will result in a default view of the molecule immediately, and no knowledge of the inner workings of ORTEP is required to produce excellent publication quality output.

The main features of Ortep-3 for Windows are:

• Ortep-3 for Windows can directly read many of the common ASCII crystallographic file formats which hold information on the anisotropic displacement parameters. Currently supported formats are SHELX, GX, CIF, SPF, CRYSTALS, CSSR-XR, CSD-FDAT, GSAS, Sybyl MOL, XYZ, PDB, Rietica-(LHPM) and Fullprof.
• Ortep-3 for Windows will also read any legal ORTEP-III instruction file.
• Up to 500 atoms may be present in the asymmetric unit. Covalent radii for the first 94 elements are stored internally, and may be modified by the user.
• Several style-templates are supplied, but the graphical representations of thermal ellipsoids for any specific atom, or the bonds between any specified pairs of atoms can be individually chosen. Over 120 different colours are stored internally and up to 200 colours may be defined. All graphical objects may be drawn in any colour.
• A mouse labelling routine is provided by the GUI. Any number of selected atoms may be labelled, and any available Windows font may be used for the labels.
• Graphic output in the following formats is supported : HPGL and PostScript, BMP. Direct printing to an on-line printer is also supported. It is also possible to prepare drawings of the correct size for direct reproduction in journals (many leading journals are now requesting this).
• Ray-traced output is available using the Raster3D or POV-Ray formats. Several representations are available from the POV-Ray interface, including thermal ellipsoids (standard ORTEP, RMSD and MSD surfaces) and van der Waals plots.
• A simple text-editor is provided, so that input files may be modified without leaving the program.
• Symmetry expansion of the asymmetric unit to give complete connected molecules may be carried out easily.
• Automatic unit cell packing diagrams.

There are more than 9000 registered users worldwide since version 1.07 was released (March 2001).

Please note that commercial users must obtain a special license (email [email protected] for details). A suitable reference for the program is:

Ortep-3 for Windows is available as a 32-bit executable for all current flavours of Windows (95/98/NT/ME/2000/XP). The current release is version 1.08 (released January 3rd 2005).

Click on the buttons below to :

Go to download page for version 1.08 of Ortep-3 for Windows.

See the README file for installation instructions.

Check the program update information.

Download the Ortep-3 for Windows manual in PDF format.

View a gallery of ray-traced ORTEP's etc produced using the POV-Ray interface to Ortep-3 for Windows.

Ortep-3 for Windows has been extensively tested. A Pentium (or better) IBM-compatible PC is recommended, with at least 16 Mb of RAM memory. The program works with all Windows resolutions, but is best suited for 800x600 or higher.

Author: Louis J. Farrugia

If you think you have found a bug in the program, please use the Bug Report Form

Please send any other comments, queries or complaints on Ortep-3 for Windows to above email address.

Please check out the other software available from this site.