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DESCRIPTION
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Package: PDBCleanup
Type: Package
Title: Preparing high-quality structure regions of PDB files
Version: 0.1.0
Authors@R: person("Isaiah", "Hazelwood",
email="isaiah.hazelwood@mail.utoronto.ca",
role=c("aut", "cre"))
Maintainer: Isaiah Hazelwood <isaiah.hazelwood@mail.utoronto.ca>
Description: PDBCleanup is an R package to preprocess PDB protein structure
files for later analysis. Its features include selecting well-predicted
subsections from structures, aligning individual domains, and visualizing
structure prediction quality. PDBCleanup functions are highly customizable
according to user through optional arguments, to ensure the method for
preprocessing the protein structure matches what the user requires for
their analysis. While PDBCleanup is oriented primarily for improvement of
predicted protein structures produced by AlphaFold2, it is applicable to
any protein structure and can be similarly applied to structures obtained
from experiments or other computational prediction methods.
License: GPL + file LICENSE
Encoding: UTF-8
LazyData: true
RoxygenNote: 7.2.3
Roxygen: list(markdown = TRUE)
Depends: R (>= 3.1.0)
biocViews:
Imports:
bio3d (>= 2.4-4),
ggplot2 (>= 3.4.3),
idpr,
r3dmol (>= 0.1.2),
shiny,
shinyalert
Suggests:
knitr,
rmarkdown,
testthat (>= 3.0.0)
Config/testthat/edition: 3
VignetteBuilder: knitr
URL: https://github.com/isaiahah/PDBCleanup
BugReports: https://github.com/isaiahah/PDBCleanup/issues