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The TNT refinement package
International Tables for Crystallography (2012). Vol. F, ch. 18.7, pp. 520-524 [ doi:10.1107/97809553602060000861 ]
... been made. 18.7.1. Scope and function of the package TNT (Tronrud et al., 1987) is a computer program package that optimizes ... converts the arbitrary units of the measured structure factors to eÅ-3, and a two-parameter model of the electron density ... of the scattering of the bulk solvent in the crystal (Tronrud, 1997), the low-resolution data could be used in ...
The Buster refinement package
International Tables for Crystallography (2012). Vol. F, Section 18.7.6.4, p. 523 [ doi:10.1107/97809553602060000861 ]
The Buster refinement package 18.7.6.4. The Buster refinement package Bricogne & Irwin (1996) have developed a maximum-likelihood refinement package using TNT. Not only are TNT's minimizer and stereochemical restraints used, but many of the calculations of the maximum-likelihood residual's derivatives are performed using TNT programs. While Bricogne and ...
[more results from section 18.7.6 in volume F]
Generalization of noncrystallographic symmetry operators to include shifts in the average B factor (1998)
International Tables for Crystallography (2012). Vol. F, Section 18.7.5.9, p. 523 [ doi:10.1107/97809553602060000861 ]
Generalization of noncrystallographic symmetry operators to include shifts in the average B factor (1998) 18.7.5.9. Generalization of noncrystallographic symmetry operators to include shifts in the average B factor (1998) It is rather common in crystals containing multiple copies of a molecule in the asymmetric unit for one or more molecules to ...
[more results from section 18.7.5 in volume F]
Current structure of the package
International Tables for Crystallography (2012). Vol. F, Section 18.7.4, p. 522 [ doi:10.1107/97809553602060000861 ]
Current structure of the package 18.7.4. Current structure of the package TNT presents different faces to different users. Some users simply want to run refinement; they see the shell interface. Others want to use the TNT programs in untraditional ways; they see the program interface. A few users want to change ...
The source code should not require customization for each project
International Tables for Crystallography (2012). Vol. F, Section 18.7.3.3, pp. 521-522 [ doi:10.1107/97809553602060000861 ]
The source code should not require customization for each project 18.7.3.3. The source code should not require customization for each project The need to state this goal seems remarkable in these modern times, but the truth is that most computer programs in the 1970s required specific customizations before they could be ...
[more results from section 18.7.3 in volume F]
Historical context
International Tables for Crystallography (2012). Vol. F, Section 18.7.2, p. 520 [ doi:10.1107/97809553602060000861 ]
... and restrained parameters. Acta Cryst. A33, 800-804. Watenpaugh, K. D., Sieker, L. C., Herriott, J. R. & Jensen, L. H. (1973 ...
Scope and function of the package
International Tables for Crystallography (2012). Vol. F, Section 18.7.1, p. 520 [ doi:10.1107/97809553602060000861 ]
... the package 18.7.1. Scope and function of the package TNT (Tronrud et al., 1987) is a computer program package that optimizes ... converts the arbitrary units of the measured structure factors to eÅ-3, and a two-parameter model of the electron density ... that the function minimizer in TNT cannot correct them. References Tronrud, D. E., Ten Eyck, L. F. & Matthews, B. W. ( ...
Current status of TNT
International Tables for Crystallography (2012). Vol. F, Section 18.7.7, p. 523 [ doi:10.1107/97809553602060000861 ]
Current status of TNT 18.7.7. Current status of TNT TNT is no longer being actively developed at the University of Oregon. The principal use of TNT today is from within the Buster package of Global Phasing, Ltd. Over the last ten years, they have made considerable modifications to their branch of ...
International Tables for Crystallography (2012). Vol. F, ch. 18.7, pp. 520-524 [ doi:10.1107/97809553602060000861 ]
... been made. 18.7.1. Scope and function of the package TNT (Tronrud et al., 1987) is a computer program package that optimizes ... converts the arbitrary units of the measured structure factors to eÅ-3, and a two-parameter model of the electron density ... of the scattering of the bulk solvent in the crystal (Tronrud, 1997), the low-resolution data could be used in ...
The Buster refinement package
International Tables for Crystallography (2012). Vol. F, Section 18.7.6.4, p. 523 [ doi:10.1107/97809553602060000861 ]
The Buster refinement package 18.7.6.4. The Buster refinement package Bricogne & Irwin (1996) have developed a maximum-likelihood refinement package using TNT. Not only are TNT's minimizer and stereochemical restraints used, but many of the calculations of the maximum-likelihood residual's derivatives are performed using TNT programs. While Bricogne and ...
[more results from section 18.7.6 in volume F]
Generalization of noncrystallographic symmetry operators to include shifts in the average B factor (1998)
International Tables for Crystallography (2012). Vol. F, Section 18.7.5.9, p. 523 [ doi:10.1107/97809553602060000861 ]
Generalization of noncrystallographic symmetry operators to include shifts in the average B factor (1998) 18.7.5.9. Generalization of noncrystallographic symmetry operators to include shifts in the average B factor (1998) It is rather common in crystals containing multiple copies of a molecule in the asymmetric unit for one or more molecules to ...
[more results from section 18.7.5 in volume F]
Current structure of the package
International Tables for Crystallography (2012). Vol. F, Section 18.7.4, p. 522 [ doi:10.1107/97809553602060000861 ]
Current structure of the package 18.7.4. Current structure of the package TNT presents different faces to different users. Some users simply want to run refinement; they see the shell interface. Others want to use the TNT programs in untraditional ways; they see the program interface. A few users want to change ...
The source code should not require customization for each project
International Tables for Crystallography (2012). Vol. F, Section 18.7.3.3, pp. 521-522 [ doi:10.1107/97809553602060000861 ]
The source code should not require customization for each project 18.7.3.3. The source code should not require customization for each project The need to state this goal seems remarkable in these modern times, but the truth is that most computer programs in the 1970s required specific customizations before they could be ...
[more results from section 18.7.3 in volume F]
Historical context
International Tables for Crystallography (2012). Vol. F, Section 18.7.2, p. 520 [ doi:10.1107/97809553602060000861 ]
... and restrained parameters. Acta Cryst. A33, 800-804. Watenpaugh, K. D., Sieker, L. C., Herriott, J. R. & Jensen, L. H. (1973 ...
Scope and function of the package
International Tables for Crystallography (2012). Vol. F, Section 18.7.1, p. 520 [ doi:10.1107/97809553602060000861 ]
... the package 18.7.1. Scope and function of the package TNT (Tronrud et al., 1987) is a computer program package that optimizes ... converts the arbitrary units of the measured structure factors to eÅ-3, and a two-parameter model of the electron density ... that the function minimizer in TNT cannot correct them. References Tronrud, D. E., Ten Eyck, L. F. & Matthews, B. W. ( ...
Current status of TNT
International Tables for Crystallography (2012). Vol. F, Section 18.7.7, p. 523 [ doi:10.1107/97809553602060000861 ]
Current status of TNT 18.7.7. Current status of TNT TNT is no longer being actively developed at the University of Oregon. The principal use of TNT today is from within the Buster package of Global Phasing, Ltd. Over the last ten years, they have made considerable modifications to their branch of ...
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