Małgorzata Rowicka
University of Texas Southwestern Medical Center
9 Papers
33 Citations
Małgorzata Rowicka is an academic researcher from University of Texas Southwestern Medical Center. The author has contributed to research in topics: Dihedral angle & Split-radix FFT algorithm. The author has an hindex of 5, co-authored 9 publications. Previous affiliations of Małgorzata Rowicka include University of Warsaw.
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Papers
The crystallographic fast Fourier transform. I. p3 symmetry
TL;DR: An algorithm for computing the discrete Fourier transform of data with threefold symmetry axes is presented, which reduces the computational complexity of such a Fouriertransform by a factor of 3.
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Coordinate transformations in modern crystallographic computing
TL;DR: A review of 4 x 4-matrix notation and of tensor formalism focused on crystallographic applications is presented and a discussion of examples shows how this notation simplifies tasks encountered in crystallographic computing.
The crystallographic fast Fourier transform. II. One-step symmetry reduction.
TL;DR: The symmetry is reduced in such a way that it is enough to calculate P1 FFT in the asymmetric unit only and then, in a computationally simpler step, recover the final result.
6
The crystallographic fast Fourier transform. III. Centred lattices.
TL;DR: Algorithms for evaluation of the crystallographic FFT for centred lattices are presented and, for 44 groups, combining these algorithms with those described by Rowicka, Kudlicki & Otwinowski yields the maximal symmetry reduction.
5
Application of Maximum Entropy principle to modeling torsion angle probability distribution in proteins
Małgorzata Rowicka,Zbyszek Otwinowski +1 more
- 08 Jun 2004
TL;DR: Using the Maximum Entropy principle, a probability distribution of torsion angles in proteins is found by implementing the conjugate gradient method in Polak‐Ribiere variant and practical approximations of the theoretical distribution are investigated.
5