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jpquast · Aug 11, 2024 · 8aeec99 · 8aeec99
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diff --git a/DESCRIPTION b/DESCRIPTION
@@ -1,6 +1,6 @@
 Package: protti
 Title: Bottom-Up Proteomics and LiP-MS Quality Control and Data Analysis Tools
-Version: 0.9.0
+Version: 0.9.0.9000
 Authors@R: 
     c(person(given = "Jan-Philipp",
            family = "Quast",

diff --git a/NEWS.md b/NEWS.md
@@ -1,3 +1,9 @@
+# protti 0.9.0.9000
+
+## Additional Changes
+
+* `extract_metal_binders()` now uses keywords from UniProt as well. In addition, only "enables" GO terms are considered now.
+
 # protti 0.9.0
 
 ## New features 

diff --git a/R/extract_metal_binders.R b/R/extract_metal_binders.R
@@ -67,7 +67,8 @@
 #' with the \code{"go_term"} source). Values of columns not relevant for a certain source should be replaced with \code{NA}.
 #' Since a \code{most_specific_id} can have multiple \code{chebi_id}s associated with it we need to unnest the \code{chebi_id}
 #' column and associated columns in which information is separated by "|". Afterwards evidence and additional information can be
-#' unnested by first splitting data for ";;" and then for ";".
+#' unnested by first splitting data for ";;" and then for ";". If the "metal_id_part_name" column contains an NA value the indicated
+#' ligand position does not directly contact the metal ion. This is usually the case for ligands such as e.g. heme.
 #' @import dplyr
 #' @import tidyr
 #' @import purrr

diff --git a/man/extract_metal_binders.Rd b/man/extract_metal_binders.Rd