A simple inverse method for calculating electron-density maps.
Electron-density maps are generally prepared by Fourier transforming a set of complex structure factors. However, a map can also be obtained through a real-space reconstruction method. Starting from an empty unit cell, the map can be iteratively modified until it agrees with the given structure factors. In this paper, a simple method is described for preparing electron-density maps using this technique and two examples of its application are given.
Somoza
J R
JR
Axys Pharmaceuticals, Inc., 385 Oyster Point Boulevard, Suite 1, S. San Francisco, CA 94080, USA. john@somoza.net
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