The Computational Crystallography Toolbox: crystallographic algorithms in a reusable software framework

@inproceedings{GrosseKunstleve2002TheCC,
  title={The Computational Crystallography Toolbox: crystallographic algorithms in a reusable software framework},
  author={Ralf W. Grosse-Kunstleve and Nicholas K. Sauter and Nigel W. Moriarty and Paul D. Adams},
  year={2002}
}
The advent of structural genomics initiatives has led to a pressing need for high-throughput macromolecular structure determination. To accomplish this, new methods and inevitably new software must be developed to accelerate the process of structure solution. To minimize duplication of effort and to generate maintainable code efficiently, a toolbox of basic crystallographic software components is required. The development of the Computational Crystallography Toolbox (cctbx) has been undertaken… CONTINUE READING

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