TNT, A General Purpose Least Square Refinement for Macro-Molecular X-Ray Crystallography

Case ID:

00-TNT

Web Published:

2/19/2009

Description:

This package is a complete suite of computer programs for optimizing the fit of macromolecular models to x-ray crystallographic data. The parameters of the atomic model can be restrained to structure factors and the principles of stereochemistry. The programs are very general and can be used for any macromolecular problem. A model can be restrained by other forms of data without modification to the code.

The programs all operate in a similar fashion, reading free-format input using a common set of keywords. All Fourier transforms are calculated with space-group specific FFT's resulting in very fast execution times.

The TNT software package is offered as an optional complement to membership in the Global Phasing Consortium, promoting innovation in X-ray crystallography particularly in pharmaceutical research and development.

For orders and licenses, visit the TNT Website, or go to Innovation Partnership Services.