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 Results for DC.creator="P." AND DC.creator="M." AND DC.creator="D." AND DC.creator="Fitzgerald"   page 1 of 3 pages.
Chemical components
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.7.2.2, pp. 169-172 [ doi:10.1107/97809553602060000738 ]
... CHEM_COMP (b) CHEM_COMP_ANGLE (c) CHEM_COMP_ATOM (d) CHEM_COMP_BOND (e) CHEM_COMP_CHIR (f) CHEM_COMP ... The position of each atom is given in orthogonal ångström coordinates. These coordinates correspond to the atom positions in the ... interactions at unfavourable base-pair triplet-binding sites: structures of d(CGGCCG)/daunomycin and d(TGGCCA)/adriamycin complexes. Acta Cryst. ...
     [more results from section 3.6.7 in volume G]

Groups of reflections
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.6.3.2, pp. 163-164 [ doi:10.1107/97809553602060000738 ]
... as follows: (a) REFLNS (b) REFLNS_SCALE (c) REFLNS_SHELL (d) REFLNS_CLASS The bullet () indicates a category key. Where multiple ...
     [more results from section 3.6.6 in volume G]

Crystal growth
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.5.3.2, p. 152 [ doi:10.1107/97809553602060000738 ]
... International Tables for Crystallography (2006). Vol. G, ch. 3.6, p. 152 © International Union of Crystallography 2006 | home | resources | advanced search ...
     [more results from section 3.6.5 in volume G]

Content of the macromolecular CIF dictionary
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.4, pp. 147-148 [ doi:10.1107/97809553602060000738 ]
... structure 3.6.7.6 SYMMETRY Symmetry information 3.6.7.7 VALENCE Bond-valence information (d) Publication 3.6.8.1 CITATION Bibliographic references 3.6.8.2 COMPUTING Computational details of ...

Overview of the mmCIF data model
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.3, pp. 145-147 [ doi:10.1107/97809553602060000738 ]
Overview of the mmCIF data model 3.6.3. Overview of the mmCIF data model The solution and refinement of a macromolecular structure is complex and often difficult, as there are a large number of atoms in a typical macromolecule, the molecular conformation can be complex and it can be difficult to model ...

Considerations underlying the design of the dictionary
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.2, pp. 144-145 [ doi:10.1107/97809553602060000738 ]
... be possible to represent atom positions using either orthogonal ångström or fractional coordinates. (v) Data items should be provided for ...

Introduction
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 3.6.1, p. 144 [ doi:10.1107/97809553602060000738 ]
... in Chapter 1.1 , the macromolecular crystallographic information file (mmCIF) dictionary (Fitzgerald et al., 1996; Bourne et al., 1997) was initially commissioned ... categories and core CIF categories are also summarized. References Bourne, P., Berman, H. M., McMahon, B., Watenpaugh, K. D., Westbrook, J. D. & Fitzgerald, ...

Classification and use of macromolecular data
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, ch. 3.6, pp. 144-198 [ doi:10.1107/97809553602060000738 ]
... in Chapter 1.1 , the macromolecular crystallographic information file (mmCIF) dictionary (Fitzgerald et al., 1996; Bourne et al., 1997) was initially commissioned ... be possible to represent atom positions using either orthogonal ångström or fractional coordinates. (v) Data items should be provided for ... structure 3.6.7.6 SYMMETRY Symmetry information 3.6.7.7 VALENCE Bond-valence information (d) Publication 3.6.8.1 CITATION Bibliographic references 3.6.8.2 COMPUTING Computational details ...

Macromolecular dictionary (mmCIF)
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, ch. 4.5, pp. 295-443 [ doi:10.1107/97809553602060000745 ]
... auth_asym_id_A _geom_hbond.atom_site_auth_asym_id_D _geom_hbond.atom_site_auth_asym_id_H _geom_hbond.atom_site ... auth_atom_id_A _geom_hbond.atom_site_auth_atom_id_D _geom_hbond.atom_site_auth_atom_id_H _geom_hbond.atom_site ... auth_comp_id_A _geom_hbond.atom_site_auth_comp_id_D _geom_hbond.atom_site_auth_comp_id_H _geom_hbond.atom_ ...

Classification and use of macromolecular data
Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, ch. 3.6, pp. 144-198 [ doi:10.1107/97809553602060000738 ]
... be downloaded from http://sw-tools.pdb.org/ . References Berman, H. M. (2001). Chair. Report of the task force on the ... USA. http://www.nigms.nih.gov/news/reports/airlie_tasks.html . Berman, H. M., Henrick, K. & Nakamura, H. (2003). Announcing the worldwide Protein Data Bank. Nature Struct. Biol. 10, 980. Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., ...

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