The bio3d package contains utilities to process, organize and explore
protein structure, sequence and dynamics data. Features include the
ability to read and write structure, sequence and dynamic trajectory
data, perform atom summaries, atom selection, re-orientation,
superposition, rigid core identification, clustering, torsion analysis,
distance matrix analysis, structure and sequence conservation analysis,
and principal component analysis (PCA). In addition, various utility
functions are provided to enable the statistical and graphical power of
the R environment to work with biological sequence and structural data.
... and I always thought that R would not be good for protein structure
analysis. This fine work has completely escaped my routine scanning,
albeit being properly published in bioinformatics. Let this Debian
packaging help its dissemination a bit.
When using the package, please cite
Bio3D: An R package for the comparative analysis of protein
structures. Grant, Rodrigues, ElSawy, McCammon, C
r-other-bio3d (1.0-8-1) unstable; urgency=low
* New upstream release (Closes: #577386).
* Added a tilde to the R:Depends substvar to also accept pre-release
* Allow upload by Debian Maintainers (debian/control).
* Suggests r-cran-bigmemory, that is not yet available (debian/control).
-- Charles Plessy <email@example.com> Tue, 13 Apr 2010 08:19:29 +0900