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. 2006 Nov 1;22(21):2695-6.
doi: 10.1093/bioinformatics/btl461. Epub 2006 Aug 29.

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

Barry J Grant  1 , Ana P C Rodrigues, Karim M ElSawy, J Andrew McCammon, Leo S D Caves
Affiliations

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

Barry J Grant et al. Bioinformatics. .

Abstract

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/

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