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Program Reference
Manual

The TNT Refinement Package

Dale E. Tronrud

This manual is consistent with Release 5-F of TNT. Detailed information about the package and methods used can be found in the following references. These papers can also be viewed at http://www.uoxray.uoregon.edu/dale/

Tronrud, D. E., Ten Eyck, L. F., & Matthews, B. W. (1987). An Efficient General-Purpose Least-Squares Refinement Program for Macromolecular Structures. Acta Crystallogr A, 43, 489-501.
Tronrud, D. E. (1992). Conjugate-Direction Minimization - An Improved Method for the Refinement of Macromolecules. Acta Crystallogr A, 48 (November), 912-916.
Tronrud, D. E. (1996). Knowledge-Based B-Factor Restraints for the Refinement of Proteins. J App Cryst, 29 (2), 100-104.
Tronrud, D. E. (1997). The TNT Refinement Package. in Macromolecular Crystallography, Part B, Eds Charlie Carter, and Robert Sweet, Volume 277 in Methods in Enzymology, pp 306-319.
Tronrud, D. E. (1999). The Efficient Calculation of the Normal matrix in lease-squares refinement of macromolecular Structures. Acta Crystallogr A, 55, 700-703.