What's new

A new update of the stable version of UNEX. Small improvements were mainly introduced.

The stable version of UNEX has been updated. Fixed different behaviour of minimization process depending on the order of conformers introducing in complicated models. Results obtained by the previous versions can be somewhat non-optimal with respect to final structural R-factors. This could happen for the inadequate and numerically unstable models, which are not used in normal practice. Nevertheless, R-factors strictly correspond to the obtained parameters.

The work on the UNEX 2.0 is in progress. UNEX 1.5.2 has been released. For the list of changes see here.

New testing builds of UNEX 2.0 have been released. A new 64-bit version for Windows has been added.

There is considerable progress in the UNEX 2.0 development. Starting from this moment fresh versions of UNEX 2.0 are available in the “Downloads” section for testing purposes.

We are intensively working on the new version of the UNEX program. Meanwhile, the updated UNEX 1.5.1 has been released with little changes.

New builds #8160 of the UNEX 2.0 alpha are available. As previously, a lot of work has been done during improvement of an internal structure of the program. We are still working on a new system of parallel operation of UNEX, so the current builds work in a serial mode only. In the new builds we have made available a possibility for processing of images of optical standards for obtaining calibration curves of scanners. For this purpose the WEDSCAN command has been introduced. An examples of its usage can be found in directory Tests/wedscan. Other apparent changes correspond to the process of working of INTSCAN command: default settings for a number of iterations, density of background parameters and convergence criteria were optimized.

A new build #8083 of UNEX 2.0.0 alpha is available. Numerous changes in an internal structure and logic of the program have been made. A most important user-related change is an improvement of a strategy of functional minimization in the INTSCAN procedure. So a transformation of an image of a diffraction pattern to an intensity curve should be more stable and depend less on initial approximations.

A new build #7905 of UNEX 2.0.0 alpha is ready. Changes: new features (will be reported in detail later) and stability fixes. Initial processing is now more or less stable.

The major part of code has been reworked. Some new features have been implemented.