Statistical density modification with non-crystallographic symmetry

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Statistical density modification with non-crystallographic symmetry

Statistical density modification is a technique for phase improvement through a calculation of the posterior probability of the phases, given experimental phase information and expectations about features of the electron-density map. The technique can take advantage of both estimates of electron density in the map and uncertainties or probability distributions for those estimates. For crystals ...

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Frameworks with crystallographic symmetry.

Periodic frameworks with crystallographic symmetry are investigated from the perspective of a general deformation theory of periodic bar-and-joint structures in Euclidean spaces of arbitrary dimension. It is shown that natural parametrizations provide affine section descriptions for families of frameworks with a specified graph and symmetry. A simple geometrical setting for displacive phase tra...

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On some implications of non-crystallographic symmetry

The standard molecular replacement (MR) protocol involves one-by-one search for molecules composing the asymmetric unit, therefore the non-crystallographic symmetry (NCS) complicates the structure determination. However, the conservation of the oligomeric state in a series of homologues and the use of information about the NCS in the target crystal may help to solve difficult MR problems. A num...

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Non-Crystallographic Symmetry in Packing Spaces

In the following, isomorphism of an arbitrary finite group of symmetry, non-crystallographic symmetry (quaternion groups, Pauli matrices groups, and other abstract subgroups), in addition to the permutation group, are considered. Application of finite groups of permutations to the packing space determines space tilings by policubes (polyominoes) and forms a structure. Such an approach establish...

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Identifying non-crystallographic symmetry in protein electron-density maps: a feature-based approach.

Non-crystallographic symmetry (NCS) averaging is a well known method for improving the quality of an electron-density map and thus aiding structure determination. Prior methods of NCS-operator determination based on estimated heavy-atom positions are prone to errors arising from inaccuracies in these coordinates or differences in the relative orientations of domains between molecules. In this p...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography

سال: 2002

ISSN: 0907-4449

DOI: 10.1107/s0907444902016360