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CARAT – a package for mathematical crystallography

1998; Wiley; Volume: 31; Issue: 5 Linguagem: Inglês

10.1107/s0021889897019468

1600-5767

Wilhelm Plesken, Jürgen Opgenorth, T. Schulz,

History and advancements in chemistry

Software environment: The source code is written in Fortran77. The executable file is compiled for the protected DOS mode (32 bits), Windows 3.1x (using Win32S), Windows 95 and Windows NT. The program offers a user-friendly graphical user interface (GUI) that is fully mouse-controlled. The graphical interface is based on the INTERACTER Library version 4.0. Hardware environment: The program runs on PC-compatible computers under DOS 6.0 or higher, Windows 3.1x (with Win32S), Windows 95 and Windows NT. The DOS version needs about 2.0 Mbytes of disk space (the program is bounded with the DOS-Extender) and 1.2 Mbytes for the other versions. The program uses VGA/SVGA graphics and needs an IBM-compatible mouse. Program specification: Up to about 100 atoms in the asymmetric unit can be used to calculate the contour maps of the bond-valence sum. The program found the higher graphics resolution for DOS and for Windows it needs a Windows video driver with colours 32 k/65 k/ 16 M. There are two forms of output file: HPGL and PostScript. In DOS one can choose a Laserjet or Deskjet printer. Documentation: The program is very easy to use, but a manual is provided in the form of a MS-Word document, with some examples. Availability: VALMAP 1.0 can be freely obtained from the authors by e-mail (jplatas@ull.es).