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PHENIX: a comprehensive Python-based system for macromolecular structure solution
International Tables for Crystallography (2012). Vol. F, ch. 18.11, pp. 539-547 [ doi:10.1107/97809553602060000865 ]
... E2 - 1|> values, the L statistic (Padilla & Yeates, 2003) and N(Z) plots are derived from data cut to theresolution limit ... V., Bunkóczi, G., Chen, V. B., Davis, I. W., Echols, N., Headd, J. J., Hung, L.-W., Kapral, G. J., ...
Iterative model building, density modification and refinement
International Tables for Crystallography (2012). Vol. F, Section 18.11.7.3, pp. 544-545 [ doi:10.1107/97809553602060000865 ]
... Kunstleve, R. W., Afonine, P. V., Adams, P. D., Moriarty, N. W., Zwart, P., Read, R. J., Turk, D. & Hung, L. ...
[more results from section 18.11.7 in volume F]
Ligand-coordinate and restraint-geometry generation
International Tables for Crystallography (2012). Vol. F, Section 18.11.6.1, pp. 543-544 [ doi:10.1107/97809553602060000865 ]
... required for covalently bound ligands are also generated. References Moriarty, N. W., Grosse-Kunstleve, R. W. & Adams, P. D. (2009). ...
[more results from section 18.11.6 in volume F]
Model and structure-factor manipulation and analysis
International Tables for Crystallography (2012). Vol. F, Section 18.11.5.1, pp. 542-543 [ doi:10.1107/97809553602060000865 ]
Model and structure-factor manipulation and analysis 18.11.5.1. Model and structure-factor manipulation and analysis PHENIX has a range of tools for displaying, analysing and manipulating structure-factor and model information. Phenix.mtz.dump and phenix.cif_as_mtz display and convert structure-factor data. Phenix.print_sequence, phenix.pdb_atom_selection and phenix.pdbtools display and ...
[more results from section 18.11.5 in volume F]
Maps, models and avoiding bias
International Tables for Crystallography (2012). Vol. F, Section 18.11.4.4, p. 542 [ doi:10.1107/97809553602060000865 ]
... from atomic models. Acta Cryst. A51, 880-887. Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Refinement of ... T. C., Grosse-Kunstleve, R. W., Afonine, P. V., Moriarty, N. W., Zwart, P. H., Hung, L.-W., Read, R. J. ...
[more results from section 18.11.4 in volume F]
Noncrystallographic symmetry (NCS)
International Tables for Crystallography (2012). Vol. F, Section 18.11.3.3, pp. 540-541 [ doi:10.1107/97809553602060000865 ]
Noncrystallographic symmetry (NCS) 18.11.3.3. Noncrystallographic symmetry (NCS) Noncrystallographic symmetry is an important feature of many macromolecular crystals that can be used to greatly improve electron-density maps. PHENIX has tools for the identification of NCS and for using NCS and multiple crystal forms of a macromolecule in phase improvement. Phenix.find_ncs ...
[more results from section 18.11.3 in volume F]
Analysis of experimental data
International Tables for Crystallography (2012). Vol. F, Section 18.11.2, p. 540 [ doi:10.1107/97809553602060000865 ]
... E2 - 1|> values, the L statistic (Padilla & Yeates, 2003) and N(Z) plots are derived from data cut to theresolution limit ... Black, K. D., Islas, L. D., Sankaran, B. & Zagotta, W. N. (2007). Structure and rearrangements in the carboxy-terminal region ... B., Saurin, A. T., Purkiss, A., Parker, P. J. & McDonald, N. Q. (2009). Recognition of an intra-chain tandem ...
Graphical user interface
International Tables for Crystallography (2012). Vol. F, Section 18.11.1.2, p. 539 [ doi:10.1107/97809553602060000865 ]
... 2126-2132. Grosse-Kunstleve, R. W., Afonine, P. V., Sauter, N. K. & Adams, P. D. (2005). cctbx news. Newsletter of ... Adams, P. D., Read, R. J., McCoy, A. J., Moriarty, N. W., Grosse-Kunstleve, R. W., Afonine, P. V., Zwart, P. ... T. C., Grosse-Kunstleve, R. W., Afonine, P. V., Moriarty, N. W., Zwart, P. H., Hung, L.-W., Read, R. ...
[more results from section 18.11.1 in volume F]
Conclusions
International Tables for Crystallography (2012). Vol. F, Section 18.11.8, p. 545 [ doi:10.1107/97809553602060000865 ]
Conclusions 18.11.8. Conclusions Advances in computational methods and algorithms have made it possible to automate the solution of many structures with PHENIX. However, many challenges still exist. In particular, the development of automated methods that can be applied at low resolution (worse than 3.0Ć) remains a priority. In this resolution range ...
International Tables for Crystallography (2012). Vol. F, ch. 18.11, pp. 539-547 [ doi:10.1107/97809553602060000865 ]
... E2 - 1|> values, the L statistic (Padilla & Yeates, 2003) and N(Z) plots are derived from data cut to theresolution limit ... V., Bunkóczi, G., Chen, V. B., Davis, I. W., Echols, N., Headd, J. J., Hung, L.-W., Kapral, G. J., ...
Iterative model building, density modification and refinement
International Tables for Crystallography (2012). Vol. F, Section 18.11.7.3, pp. 544-545 [ doi:10.1107/97809553602060000865 ]
... Kunstleve, R. W., Afonine, P. V., Adams, P. D., Moriarty, N. W., Zwart, P., Read, R. J., Turk, D. & Hung, L. ...
[more results from section 18.11.7 in volume F]
Ligand-coordinate and restraint-geometry generation
International Tables for Crystallography (2012). Vol. F, Section 18.11.6.1, pp. 543-544 [ doi:10.1107/97809553602060000865 ]
... required for covalently bound ligands are also generated. References Moriarty, N. W., Grosse-Kunstleve, R. W. & Adams, P. D. (2009). ...
[more results from section 18.11.6 in volume F]
Model and structure-factor manipulation and analysis
International Tables for Crystallography (2012). Vol. F, Section 18.11.5.1, pp. 542-543 [ doi:10.1107/97809553602060000865 ]
Model and structure-factor manipulation and analysis 18.11.5.1. Model and structure-factor manipulation and analysis PHENIX has a range of tools for displaying, analysing and manipulating structure-factor and model information. Phenix.mtz.dump and phenix.cif_as_mtz display and convert structure-factor data. Phenix.print_sequence, phenix.pdb_atom_selection and phenix.pdbtools display and ...
[more results from section 18.11.5 in volume F]
Maps, models and avoiding bias
International Tables for Crystallography (2012). Vol. F, Section 18.11.4.4, p. 542 [ doi:10.1107/97809553602060000865 ]
... from atomic models. Acta Cryst. A51, 880-887. Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Refinement of ... T. C., Grosse-Kunstleve, R. W., Afonine, P. V., Moriarty, N. W., Zwart, P. H., Hung, L.-W., Read, R. J. ...
[more results from section 18.11.4 in volume F]
Noncrystallographic symmetry (NCS)
International Tables for Crystallography (2012). Vol. F, Section 18.11.3.3, pp. 540-541 [ doi:10.1107/97809553602060000865 ]
Noncrystallographic symmetry (NCS) 18.11.3.3. Noncrystallographic symmetry (NCS) Noncrystallographic symmetry is an important feature of many macromolecular crystals that can be used to greatly improve electron-density maps. PHENIX has tools for the identification of NCS and for using NCS and multiple crystal forms of a macromolecule in phase improvement. Phenix.find_ncs ...
[more results from section 18.11.3 in volume F]
Analysis of experimental data
International Tables for Crystallography (2012). Vol. F, Section 18.11.2, p. 540 [ doi:10.1107/97809553602060000865 ]
... E2 - 1|> values, the L statistic (Padilla & Yeates, 2003) and N(Z) plots are derived from data cut to theresolution limit ... Black, K. D., Islas, L. D., Sankaran, B. & Zagotta, W. N. (2007). Structure and rearrangements in the carboxy-terminal region ... B., Saurin, A. T., Purkiss, A., Parker, P. J. & McDonald, N. Q. (2009). Recognition of an intra-chain tandem ...
Graphical user interface
International Tables for Crystallography (2012). Vol. F, Section 18.11.1.2, p. 539 [ doi:10.1107/97809553602060000865 ]
... 2126-2132. Grosse-Kunstleve, R. W., Afonine, P. V., Sauter, N. K. & Adams, P. D. (2005). cctbx news. Newsletter of ... Adams, P. D., Read, R. J., McCoy, A. J., Moriarty, N. W., Grosse-Kunstleve, R. W., Afonine, P. V., Zwart, P. ... T. C., Grosse-Kunstleve, R. W., Afonine, P. V., Moriarty, N. W., Zwart, P. H., Hung, L.-W., Read, R. ...
[more results from section 18.11.1 in volume F]
Conclusions
International Tables for Crystallography (2012). Vol. F, Section 18.11.8, p. 545 [ doi:10.1107/97809553602060000865 ]
Conclusions 18.11.8. Conclusions Advances in computational methods and algorithms have made it possible to automate the solution of many structures with PHENIX. However, many challenges still exist. In particular, the development of automated methods that can be applied at low resolution (worse than 3.0Ć) remains a priority. In this resolution range ...
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