Apr 1, 2017

Towards an efficient compression of 3D coordinates of macromolecular structures

PloS One
Yana ValasatavaPeter W Rose


The size and complexity of 3D macromolecular structures available in the Protein Data Bank is constantly growing. Current tools and file formats have reached limits of scalability. New compression approaches are required to support the visualization of large molecular complexes and enable new and scalable means for data analysis. We evaluated a series of compression techniques for coordinates of 3D macromolecular structures and identified the best performing approaches. By balancing compression efficiency in terms of the decompression speed and compression ratio, and code complexity, our results provide the foundation for a novel standard to represent macromolecular coordinates in a compact and useful file format.

  • References15
  • Citations7


Mentioned in this Paper

In Vivo NMR Spectroscopy
Lossy Compression
Complex (molecular entity)
Tertiary Protein Structure
Phosphate Measurement
Theoretical Study

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