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 Results for DC.creator="H." AND DC.creator="A." AND DC.creator="Hauptman"   page 2 of 2 pages.
`Multisolution' methods and trial structures
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.3.2, p. 417 [ doi:10.1107/97809553602060000850 ]
... structure determination requires that sufficient phases be found such that a Fourier map computed using the corresponding structure factors will reveal ... Ab initio phase determination by direct methods requires not only a set of invariants, the average values of the cosines of which are presumed to be known, but also a set of starting phases. Therefore, the third step in ...
     [more results from section 16.1.3 in volume F]

Difference intensities and direct methods
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.2.3, p. 416 [ doi:10.1107/97809553602060000850 ]
... the macromolecular temperature factors incorporated in this process can be a source of error. The temperature-factor correction, often large for ... very sensitive to such errors and will often fail unless a suitable resolution truncation limit is imposed. Usually this is around ... al. (2004) have extended their work on profiles to devise a method of normalization based on profiles, and this should ...
     [more results from section 16.1.2 in volume F]

Summary
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.1.3, pp. 414-415 [ doi:10.1107/97809553602060000850 ]
... by utilizing direct relationships between the crystallographic phases without any a priori structural information. From a historical perspective, the first successful applications of direct methods to ... and unconditional alternation of reciprocal-space phase refinement (`shaking') with a complementary real-space process that seeks to improve phases ...
     [more results from section 16.1.1 in volume F]

Conclusions and the grand challenge
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.13, p. 429 [ doi:10.1107/97809553602060000850 ]
... of the method can be relaxed. There are, of course, a few structures solved ab initio, but they are relatively uncommon. There is a grand challenge here: to solve ab initio macromolecular structures using ... on the recurrence of model fragments that can be predicted a priori from the protein sequence (e.g. small polyalanine [alpha]- ...

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