THE CRYSTALLOGRAPHIC COMPUTING SYSTEM JANA98
JANA981 is a new version of crystallographic computing system for solving and refining regular, modulated and composite structures from single-crystal diffraction data. It has back compatibility with previous versions of the program - JANA96, JANA94 and JANA93. The new features of JANA98 concern both the user interface and the computing part of the program.
The user interface has been completely changed. It has 3d look and enables controlling of the program both by mouse and from the keyboard. The user no longer needs the knowledge of keywords as the control commands are now entered interactively. The work with files is facilitated by special file manager, which can recognize set of files belonging to a single JANA98 job. Wide FORTRAN listings can be viewed by listing viewer. JANA98 has initialization file with variety of user preferences, which can be set interactively. There is also the first version of the plotting program for modulated structures available.
The main change in the computing part is that JANA98
can refine anharmonic contributions to temperature factors and
their modulations. JANA98 supports neutron data, reads and
exports data in SHELX format. It has CIF output including the
extension for modulated structures2 and an output
suitable for CrystalMaker. The absorption correction procedure
can exchange data with X-shape. The functionality of all programs
of the package has been improved.
1. http://www-xray.fzu.cz/jana/jana98.html
2. G.Magariaga: Proc. Int. Conf. on Aperiodic Crystals, September
1994, Les Diablerets, Switzerland, World Scientific Publishing,
Singapore, 1995, 425-429