vanddraabe

Identification and Statistical Analysis of Conserved Waters in Proteins

Identify and analyze conserved waters within crystallographic protein structures and molecular dynamics simulation trajectories. Statistical parameters for each water cluster, informative graphs, and a PyMOL session file to visually explore the conserved waters and protein are returned. Hydrophilicity is the propensity of waters to congregate near specific protein atoms and is related to conserved waters. An informatics derived set of hydrophilicity values are provided based on a large, high-quality X-ray protein structure dataset.

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Description file content

Package
vanddraabe
Type
Package
Title
Identification and Statistical Analysis of Conserved Waters in Proteins
Description
Identify and analyze conserved waters within crystallographic protein structures and molecular dynamics simulation trajectories. Statistical parameters for each water cluster, informative graphs, and a PyMOL session file to visually explore the conserved waters and protein are returned. Hydrophilicity is the propensity of waters to congregate near specific protein atoms and is related to conserved waters. An informatics derived set of hydrophilicity values are provided based on a large, high-quality X-ray protein structure dataset.
Version
1.0.0
Date
2017-08-10
Depends
R (>= 3.3.3)
Imports
bio3d (>= 2.3-1), cowplot (>= 0.7.0), fastcluster (>= 1.1.22), ggplot2 (>= 2.2.1), openxlsx (>= 4.0.17), reshape2 (>= 1.4.2), scales (>= 0.4.1)
Suggests
knitr, rmarkdown, testthat
URL
BugReports
https://github.com/exeResearch/vanddraabe/issues
License
MIT + file LICENSE
LazyData
TRUE
RoxygenNote
6.0.1
VignetteBuilder
knitr
Encoding
UTF-8
NeedsCompilation
no
Packaged
2017-08-10 20:34:49 UTC; emilio
Author
Emilio Xavier Esposito [aut, cre]
Maintainer
Emilio Xavier Esposito
Repository
CRAN
Date/Publication
2017-08-11 16:14:58 UTC

install.packages('vanddraabe')

1.0.0

4 months ago

http://www.exeResearch.com/vanddraabe.html

Emilio Xavier Esposito

MIT + file LICENSE

Depends on

R (>= 3.3.3)

Imports

bio3d (>= 2.3-1), cowplot (>= 0.7.0), fastcluster (>= 1.1.22), ggplot2 (>= 2.2.1), openxlsx (>= 4.0.17), reshape2 (>= 1.4.2), scales (>= 0.4.1)

Suggests

knitr, rmarkdown, testthat

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