Bio3d: an R package for the comparative analysis of protein structures

  • Authors:

  • Barry J. Grant;Ana P. C. Rodrigues;Karim M. Elsawy;J. Andrew Mccammon;Leo S. D. Caves

  • Affiliations:

  • Department of Chemistry and Biochemistry, University of California, San Diego La Jolla, CA 92093, USA;The Burnham Institute for Medical Research, La Jolla CA 92037, USA;Department of Biology, University of York York YO10 5YW, UK;Department of Chemistry and Biochemistry, University of California, San Diego La Jolla, CA 92093, USA;Department of Biology, University of York York YO10 5YW, UK

  • Venue:
  • Bioinformatics
  • Year:
  • 2006

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Abstract

Summary: An automated procedure for the analysis of homologous protein structures has been developed. The method facilitates the characterization of internal conformational differences and inter-conformer relationships and provides a framework for the analysis of protein structural evolution. The method is implemented in bio3d, an R package for the exploratory analysis of structure and sequence data. Availability: The bio3d package is distributed with full source code as a platform-independent R package under a GPL2 license from: http://mccammon.ucsd.edu/~bgrant/bio3d/ Contact: bgrant@mccammon.ucsd.edu