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 ]
A 33, 800–804. Google Scholar
Ten Eyck,
L.
F. (1973). Crystallographic fast Fourier transforms. Acta Cryst. A 29, 183–191. Google Scholar
Ten Eyck,
L.
F. (1977). Efficient structure-factor calculation for large ...
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 ]
Introduction to refinement
Ten Eyck, L. F. and
Watenpaugh, K. D.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 18.1,
pp. 459-465
[ doi:10.1107/97809553602060000855 ]
Ten Eyck,
L.
F. & Matthews, B. W. (1987). An efficient general-purpose least-squares refinement program for macromolecular structures . Acta Cryst. A 43, 489–501. Google Scholar
Vriend, G. (1990). WHAT IF: a molecular ...
Examination of outliers in the model
Ten Eyck, L. F. and
Watenpaugh, K. D.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.1.9.1,
pp. 464-464
[ doi:10.1107/97809553602060000855 ]
[
more
results from section 18.1.9 in volume F]
