Browse code

Merge branch 'RELEASE_3_12'

WilliamMc authored on 16/03/2022 00:09:13
Showing 14 changed files

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@@ -1,7 +1,7 @@
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 Package: idpr
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 Type: Package
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 Title: Profiling and Analyzing Intrinsically Disordered Proteins in R
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-Version: 1.6.1
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+Version: 1.6.11
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 Authors@R: c(person(c("William", "M."), "McFadden", 
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                 email = "wmm27@pitt.edu", 
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                 role = c("cre", "aut")),
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@@ -25,7 +25,7 @@ LazyData: true
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 biocViews: StructuralPrediction, Proteomics, CellBiology
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 RoxygenNote: 7.1.2
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 Depends: 
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-    R (>= 4.1.3)
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+    R (>= 4.1.0)
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 Imports: 
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     ggplot2 (>= 3.3.0),
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     magrittr (>= 1.5),
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@@ -226,7 +226,7 @@ chargeCalculationGlobal <- function(
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 #'   or vector of single characters.
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 #'   It also supports a single character string that specifies
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 #'   the location of a .fasta or .fa file.
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-#' @param window a positive, odd integer. 7 by default.
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+#' @param window a positive, odd integer. 9 by default.
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 #'   Sets the size of sliding window, must be an odd number.
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 #'   The window determines the number of residues to be analyzed and averaged
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 #'   for each position along the sequence.
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@@ -297,7 +297,7 @@ chargeCalculationGlobal <- function(
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 #'  plot(gg)
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-chargeCalculationLocal <- function(sequence, window = 7,  proteinName = NA,
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+chargeCalculationLocal <- function(sequence, window = 9,  proteinName = NA,
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                         pH = 7.0, pKaSet = "IPC_protein",
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                         printCitation = FALSE, plotResults = FALSE, ...) {
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     seqVector <- sequenceCheck(sequence = sequence, method = "stop",
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@@ -45,7 +45,6 @@
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 #' @references Kyte, J., & Doolittle, R. F. (1982). A simple method for
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 #'   displaying the hydropathic character of a protein.
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 #'   Journal of molecular biology, 157(1), 105-132.
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-#' @export
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 #' @section Plot Colors:
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 #'   For users who wish to keep a common aesthetic, the following colors are
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 #'   used when plotResults = TRUE. \cr
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@@ -69,31 +68,14 @@
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 #'   conditions?. Proteins: structure, function, and bioinformatics, 41(3),
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 #'   415-427.
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 #'   \url{https://doi.org/10.1002/1097-0134(20001115)41:3<415::AID-PROT130>3.0.CO;2-7}
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-#' @examples
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-#' #Amino acid sequences can be character strings
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-#' aaString <- "ACDEFGHIKLMNPQRSTVWY"
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-#' #Amino acid sequences can also be character vectors
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-#' aaVector <- c("A", "C", "D", "E", "F",
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-#'               "G", "H", "I", "K", "L",
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-#'               "M", "N", "P", "Q", "R",
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-#'               "S", "T", "V", "W", "Y")
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-#' #Alternatively, .fasta files can also be used by providing
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-#'   ##The path to the file as a character string.
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-#'
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-#'
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-#' foldIndexR(aaVector)
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-#'
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-#' exampleDF <- 
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-#'   foldIndexR(aaString,
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-#'       plotResults = FALSE)
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-#' head(exampleDF)
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-#' 
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+#' @export
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 foldIndexR <- function(sequence,
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                        window = 51, 
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                        proteinName = NA,
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                        pKaSet = "IPC_protein",
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-                       plotResults = TRUE) {
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+                       plotResults = TRUE,
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+                       ...) {
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     chargeDF <-
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         chargeCalculationLocal(sequence = sequence, window = window,
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@@ -25,7 +25,7 @@
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 #' @param uniprotAccession character string specifying the UniProt Accession of
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 #'   the protein of interest. Used to fetch predictions from IUPreds REST API.
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 #'   Default is NA. Keep as NA if you do not have a UniProt Accession.
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-#' @param window a positive, odd integer. 51 by default.
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+#' @param window a positive, odd integer. 9 by default.
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 #'   Sets the size of sliding window, must be an odd number.
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 #'   The window determines the number of residues to be analyzed and averaged
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 #'   for each position along the sequence. 51 is default for 
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@@ -174,7 +174,7 @@ idprofile <- function(
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     uniprotAccession = NA,
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     proteinName = NA,
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     iupredType = "long",
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-    window = 51,
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+    window = 9,
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     pH = 7.2,
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     pKaSet = "IPC_protein",
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     structuralTendencyType = "bar",
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@@ -199,12 +199,6 @@ idprofile <- function(
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         plotResults = TRUE,
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         pKaSet = pKaSet,
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         proteinName = proteinName)
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-    hydropPlot <- scaledHydropathyLocal(
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-        sequence = sequence,
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-        window = window,
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-        plotResults = TRUE,
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-        pKaSet = pKaSet,
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-        proteinName = proteinName)
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     tendencyPlot <- structuralTendencyPlot(
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         sequence = sequence,
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         graphType = structuralTendencyType,
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@@ -5,7 +5,7 @@
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 #'   showing the calculated scores for each window along the sequence.
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 #' @inheritParams sequenceCheck
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 #'
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-#' @param window a positive, odd integer. 7 by default.
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+#' @param window a positive, odd integer. 9 by default.
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 #'   Sets the size of sliding window, must be an odd number.
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 #'   The window determines the number of residues to be analyzed and averaged
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 #'   for each position along the sequence.
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@@ -44,7 +44,7 @@ if (!requireNamespace("BiocManager", quietly = TRUE))
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 BiocManager::install("idpr")
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 ```
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-You can install the development version from 
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+Additionally, you can install the development version from 
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 [Bioconductor](https://bioconductor.org/packages/devel/bioc/html/idpr.html) 
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 with:
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 ``` r
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 BiocManager::install("idpr")
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 ```
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-You can install the development version from
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+Additionally, you can install the development version from
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 [Bioconductor](https://bioconductor.org/packages/devel/bioc/html/idpr.html)
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 with:
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... ...
@@ -109,7 +109,7 @@ citation("idpr")
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 #> 
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 #>   William M. McFadden and Judith L. Yanowitz (2020). idpr: Profiling
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 #>   and Analyzing Intrinsically Disordered Proteins in R. R package
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-#>   version 1.6.1.
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+#>   version 1.6.11.
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 #> 
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 #> A BibTeX entry for LaTeX users is
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 #> 
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@@ -117,7 +117,7 @@ citation("idpr")
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 #>     title = {idpr: Profiling and Analyzing Intrinsically Disordered Proteins in R},
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 #>     author = {William M. McFadden and Judith L. Yanowitz},
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 #>     year = {2020},
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-#>     note = {R package version 1.6.1},
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+#>     note = {R package version 1.6.11},
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 #>   }
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 ```
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@@ -125,9 +125,9 @@ citation("idpr")
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 ``` r
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 Sys.time()
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-#> [1] "2022-03-11 02:31:26 EST"
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+#> [1] "2022-03-15 20:07:30 EDT"
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 Sys.Date()
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-#> [1] "2022-03-11"
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+#> [1] "2022-03-15"
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 R.version
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 #>                _                           
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 #> platform       x86_64-apple-darwin17.0     
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@@ -6,7 +6,7 @@
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 \usage{
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 chargeCalculationLocal(
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   sequence,
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-  window = 7,
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+  window = 9,
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   proteinName = NA,
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   pH = 7,
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   pKaSet = "IPC_protein",
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@@ -21,7 +21,7 @@ or vector of single characters.
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 It also supports a single character string that specifies
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 the location of a .fasta or .fa file.}
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-\item{window}{a positive, odd integer. 7 by default.
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+\item{window}{a positive, odd integer. 9 by default.
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 Sets the size of sliding window, must be an odd number.
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 The window determines the number of residues to be analyzed and averaged
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 for each position along the sequence.}
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Binary files a/man/figures/README-example-3.png and b/man/figures/README-example-3.png differ
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Binary files a/man/figures/README-example-4.png and b/man/figures/README-example-4.png differ
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Binary files a/man/figures/README-example-5.png and b/man/figures/README-example-5.png differ
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@@ -9,7 +9,8 @@ foldIndexR(
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   window = 51,
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   proteinName = NA,
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   pKaSet = "IPC_protein",
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-  plotResults = TRUE
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+  plotResults = TRUE,
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+  ...
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 )
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 }
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 \arguments{
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@@ -96,26 +97,6 @@ This is used to calculate the prediction of intrinsic disorder based on
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   \url{https://doi.org/10.1002/1097-0134(20001115)41:3<415::AID-PROT130>3.0.CO;2-7}
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 }
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-\examples{
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-#Amino acid sequences can be character strings
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-aaString <- "ACDEFGHIKLMNPQRSTVWY"
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-#Amino acid sequences can also be character vectors
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-aaVector <- c("A", "C", "D", "E", "F",
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-              "G", "H", "I", "K", "L",
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-              "M", "N", "P", "Q", "R",
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-              "S", "T", "V", "W", "Y")
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-#Alternatively, .fasta files can also be used by providing
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-  ##The path to the file as a character string.
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-
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-
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-foldIndexR(aaVector)
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-
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-exampleDF <- 
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-  foldIndexR(aaString,
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-      plotResults = FALSE)
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-head(exampleDF)
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-
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-}
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 \references{
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 Kyte, J., & Doolittle, R. F. (1982). A simple method for
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   displaying the hydropathic character of a protein.
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@@ -43,7 +43,7 @@ disorder based on environmental conditions. Regions of predicted
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 environmental sensitivity are highlighted. See the respective functions
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 for more details. This is skipped if uniprotAccession = NA.}
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-\item{window}{a positive, odd integer. 51 by default.
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+\item{window}{a positive, odd integer. 9 by default.
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 Sets the size of sliding window, must be an odd number.
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 The window determines the number of residues to be analyzed and averaged
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 for each position along the sequence. 51 is default for 
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@@ -18,7 +18,7 @@ a vector of single characters, or an AAString object.
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 It also supports a single character string that specifies
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 the path to a .fasta or .fa file.}
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-\item{window}{a positive, odd integer. 7 by default.
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+\item{window}{a positive, odd integer. 9 by default.
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 Sets the size of sliding window, must be an odd number.
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 The window determines the number of residues to be analyzed and averaged
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 for each position along the sequence.}