Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features
A set of simple and physically motivated criteria for secondary structure, programmed as a pattern‐recognition process of hydrogen‐bonded and geometrical features extracted from x‐ray coordinates is developed.
Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants
- W. Kabsch
- Chemistry
- 1 December 1993
An algorithm has been developed for the automatic interpretation of a given set of observed reciprocal-lattice points. It extracts a reduced cell and assigns indices to each reflection by a…
XDS
- W. Kabsch
- PhysicsActa Crystallographica Section D: Biological…
- 22 January 2010
The paper describes the software package XDS for processing of single crystal diffraction data recorded by the rotation method and describes the results obtained.
Integration, scaling, space-group assignment and post-refinement
- W. Kabsch
- ChemistryActa Crystallographica Section D: Biological…
- 22 January 2010
The working principles of important steps in processing rotation data are described as employed by the program XDS.
A solution for the best rotation to relate two sets of vectors
- W. Kabsch
- Mathematics
- 1 September 1976
A simple procedure is derived which determines a best rotation of a given vector set into a second vector set by minimizing the weighted sum of squared deviations. The method is generalized for any…
Atomic structure of the actin: DNase I complex
- W. Kabsch, H. Mannherz, D. Suck, E. Pai, K. Holmes
- Biology, ChemistryNature
- 6 September 1990
The atomic models of the complex between rabbit skeletal muscle actin and bovine pancreatic deoxyribonuclease I both in the ATP and ADP forms have been determined byo X-ray analysis at an effective…
Atomic model of the actin filament
- K. Holmes, D. Popp, W. Gebhard, W. Kabsch
- Physics, BiologyNature
- 6 September 1990
A unique orientation of the monomer with respect to the actin helix has been found and the main interactions are along the two-start helix with a contribution from a loop extending across the filament axis provided by the molecule in the adjacent strand.
The Ras-RasGAP complex: structural basis for GTPase activation and its loss in oncogenic Ras mutants.
- K. Scheffzek, M. Ahmadian, A. Wittinghofer
- Chemistry, BiologyScience
- 18 July 1997
The structural arrangement in the active site is consistent with a mostly associative mechanism of phosphoryl transfer and provides an explanation for the activation of Ras by glycine-12 and glutamine-61 mutations.
Evaluation of Single-Crystal X-ray Diffraction Data from a Position-Sensitive Detector
- W. Kabsch
- Physics
- 1 December 1988
A Fortran program has been developed for the reduction of single-crystal diffraction data from a sequence of adjacent rotation pictures recorded at a fixed X-ray wavelength by an electronic area…
A discussion of the solution for the best rotation to relate two sets of vectors
- W. Kabsch
- Physics
- 1 September 1978
A method is discussed for obtaining the best proper rotation to relate two sets of vectors.
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