The TNT refinement package
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 18.7,
pp. 520-524
[ doi:10.1107/97809553602060000861 ]
molecules by the fast Fourier transform. Acta Cryst. A 33, 486–492. Google Scholar
Tronrud,
D.
E. (1992). Conjugate-direction minimization: an improved method for the refinement of macromolecules. Acta Cryst. A 48, 912–916. Google ...
Randy Read's maximum-likelihood function
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.7.6.2,
pp. 523-523
[ doi:10.1107/97809553602060000861 ]
[
more
results from section 18.7.6 in volume F]
Scope and function of the package
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.7.1,
pp. 520-520
[ doi:10.1107/97809553602060000861 ]
is not well suited. Second, the errors in an initial model constructed with only 3.5 Å data are usually of such a magnitude and quality that the function minimizer in TNT cannot correct them.
References
Tronrud,
D.
E., Ten Eyck ...
The ability of a single package to perform both individual atom and rigid-body refinement (1982)
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.7.5.2,
pp. 522-522
[ doi:10.1107/97809553602060000861 ]
[
more
results from section 18.7.5 in volume F]
The source code should not require customization for each project
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.7.3.3,
pp. 521-522
[ doi:10.1107/97809553602060000861 ]
[
more
results from section 18.7.3 in volume F]
Current structure of the package
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.7.4,
pp. 522-522
[ doi:10.1107/97809553602060000861 ]
Historical context
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.7.2,
pp. 520-520
[ doi:10.1107/97809553602060000861 ]
Current status of TNT
Tronrud, D. E. and
Ten Eyck, L. F.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.7.7,
pp. 523-523
[ doi:10.1107/97809553602060000861 ]
