DOI: 10.1093/bioinformatics/btl461 ISSN:
Bio3d: an R package for the comparative analysis of protein structures
Barry J. Grant, Ana P. C. Rodrigues, Karim M. ElSawy, J. Andrew McCammon, Leo S. D. Caves- Computational Mathematics
- Computational Theory and Mathematics
- Computer Science Applications
- Molecular Biology
- Biochemistry
- Statistics and Probability
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:
Contact: bgrant@mccammon.ucsd.edu