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 Results for articles by Berman, H. M.   page 1 of 4 pages.
Molecular sites
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 3.6.7.5.8, pp. 188-189 [ doi:10.1107/97809553602060000738 ]
Molecular sites 3.6.7.5.8. Molecular sites The data items in these categories are as follows: (a) STRUCT_SITE (b) STRUCT_SITE_KEYWORDS (c) STRUCT_SITE_GEN (d) STRUCT_SITE_VIEW The bullet () indicates a category key. Where multiple items within a category are marked with a bullet, they must be taken together ...
     [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 ]
Groups of reflections 3.6.6.3.2. Groups of reflections The data items in these categories are as follows: (a) REFLNS (b) REFLNS_SCALE (c) REFLNS_SHELL (d) REFLNS_CLASS The bullet () indicates a category key. Where multiple items within a category are marked with a bullet, they must be taken together to form ...
     [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 ]
Crystal growth 3.6.5.3.2. Crystal growth The data items in these categories are as follows: (a) EXPTL_CRYSTAL_GROW (b) EXPTL_CRYSTAL_GROW_COMP The bullet () indicates a category key. Where multiple items within a category are marked with a bullet, they must be taken together to form a compound key. The ...
     [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 ]
Content of the macromolecular CIF dictionary 3.6.4. Content of the macromolecular CIF dictionary Because it is derived from the core CIF dictionary, the mmCIF dictionary shares the same general structure as outlined in Chapter 3.2 . However, DDL2 permits the formal assignment of categories to category groups. Table 3.6.4.1 lists the ...

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 ]
... 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 ]
... be possible to represent atom positions using either orthogonal ångström or fractional coordinates. (v) Data items should be provided for ... dictionary (for example, the data items that correspond to the h, k and l Miller indices of a reflection in the ... DIFFRN_ORIENT_MATRIX (f) DIFFRN_ORIENT_REFLN (g) DIFFRN_RADIATION (h) DIFFRN_RADIATION_WAVELENGTH (i) DIFFRN_REFLN (j) DIFFRN_REFLNS ( ...

Access
Westbrook, J. D., Yang, H., Feng, Z. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 5.5.4, p. 543 [ doi:10.1107/97809553602060000755 ]
Access 5.5.4. Access All of the software tools and libraries described in this chapter are distributed with full source under an open-source licence. Applications are also distributed in binary form for Intel/Linux, Sun/Solaris, SGI/IRIX and Dec Alpha platforms. Several are also included on the CD-ROM accompanying ...

Building a structure-determination data pipeline
Westbrook, J. D., Yang, H., Feng, Z. and Berman, H. M.  International Tables for Crystallography (2006). Vol. G, Section 5.5.3.3, pp. 542-543 [ doi:10.1107/97809553602060000755 ]
Building a structure-determination data pipeline 5.5.3.3. Building a structure-determination data pipeline One goal of high-throughput structural genomics is the automatic capture of all the details of each step in the process of structure determination. Fig. 5.5.3.5 shows a simplified structure-determination data pipeline. The essential details of each ...
     [more results from section 5.5.3 in volume G]

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