Package: vanddraabe
Type: Package
Title: Identification and Statistical Analysis of Conserved Waters Near
        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: 1.1.1
Date: 2019-06-10
Depends: R (>= 3.6.0)
Imports: bio3d (>= 2.3-4), cowplot (>= 0.9.4), fastcluster (>= 1.1.25),
        ggplot2 (>= 3.1.1), openxlsx (>= 4.1.0), reshape2 (>= 1.4.3),
        scales (>= 1.0.0)
Suggests: knitr, rmarkdown, testthat
Authors@R: person("Emilio Xavier", "Esposito", email = "emilio@exeResearch.com", role = c("aut", "cre"))
URL: http://vanddraabe.com, https://github.com/exeResearch/vanddraabe/
BugReports: https://github.com/exeResearch/vanddraabe/issues
License: MIT + file LICENSE
LazyData: TRUE
RoxygenNote: 6.1.1
VignetteBuilder: knitr
Encoding: UTF-8
NeedsCompilation: no
Packaged: 2019-06-07 13:35:50 UTC; emilioxavieresposito
Author: Emilio Xavier Esposito [aut, cre]
Maintainer: Emilio Xavier Esposito <emilio@exeResearch.com>
Repository: CRAN
Date/Publication: 2019-06-07 22:00:03 UTC
Built: R 4.0.5; ; 2022-04-21 13:07:30 UTC; windows
