{ "_id": "6acfd0dae2d863f662953135", "Package": "RBMRB", "Title": "Interface to the Biological Magnetic Resonance Data Bank\n('BMRB')", "Version": "3.0.0", "Date": "2026-10-01", "Authors@R": "person(\ngiven = \"Kumaran\",\nfamily = \"Baskaran\",\nemail = \"baskaran@uchc.edu\",\nrole = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0000-0002-0418-0286\"))", "Description": "A comprehensive interface to the Biological Magnetic\nResonance Data Bank ('BMRB') , mirroring all\nfunctionality of the 'PyBMRB' 'Python' package (v3.0). Provides\nfour modules: (1) 'ChemicalShift' for fetching per-entry\nchemical shift data from the 'BMRB' 'REST' 'API' or local\n'NMR-STAR' files; (2) 'ChemicalShiftStatistics' for\ndatabase-wide statistical queries; (3) Spectra for simulating\n'1H-15N' 'HSQC', '1H-13C' 'HSQC', '1H-1H' 'TOCSY', and generic\n2D 'NMR' spectra as interactive plots; and (4) Histogram for\nchemical shift distribution visualizations with optional\nfiltering by pH, temperature, and ambiguity code. All\ninteractive plots are rendered via 'plotly'. Uses the 'BMRB'\nREST API v2 .", "License": "GPL-3", "URL": "https://github.com/bmrb-io/RBMRB", "BugReports": "https://github.com/bmrb-io/RBMRB/issues", "Encoding": "UTF-8", "Config/testthat/edition": "3", "VignetteBuilder": "knitr", "Config/roxygen2/version": "8.0.0", "NeedsCompilation": "no", "Packaged": { "Date": "2026-10-14 18:55:48 UTC", "User": "root" }, "Author": "Kumaran Baskaran [aut, cre] (ORCID:\n)", "Maintainer": "Kumaran Baskaran ", "Repository": "https://cran.r-universe.dev", "Date/Publication": "2026-10-14 17:21:33 UTC", "RemoteUrl": "https://github.com/cran/RBMRB", "RemoteRef": "HEAD", "RemoteSha": "ab40c34969b405e8d44225aa205f879377a549b2", "_user": "cran", "_type": "src", "_file": "RBMRB_3.0.0.tar.gz", "_fileid": "https://r2.ropensci.org/5d9b0812f87b2b91640aa918ca89d459a1218d8039991a83ae4c221e5f11a430", "_filesize": 221593, "_sha256": "5d9b0812f87b2b91640aa918ca89d459a1218d8039991a83ae4c221e5f11a430", "_expires": "2027-01-22T18:58:32.000Z", "_created": "2026-10-14T18:55:48.000Z", "_published": "2026-10-14T18:58:34.822Z", "_buildurl": "https://github.com/r-universe/cran/actions/runs/38618883740", "_status": "success", "_host": "GitHub-Actions", "_jobs": [ { "job": 116042603590, "time": 132, "config": "linux-devel-x86_64", "r": "4.7.0", "check": "OK", "artifact": "11921950649" }, { "job": 116042603408, "time": 109, "config": "linux-release-x86_64", "r": "4.6.1", "check": "OK", "artifact": "11921680740" }, { "job": 116041164676, "time": 176, "config": "source", "r": "4.6.1", "check": "OK", "artifact": "11920952516" }, { "job": 116042603083, "time": 115, "config": "wasm-release", "r": "4.6.0", "check": "OK", "artifact": "11921730621" }, { "job": 116042603347, "time": 93, "config": "windows-devel-x86_64", "r": "4.7.0", "check": "OK", "artifact": "11921231157" }, { "job": 116042603163, "time": 89, "config": "windows-release-x86_64", "r": "4.6.1", "check": "OK", "artifact": "11921281043" } ], "_upstream": "https://github.com/cran/RBMRB", "_commit": { "id": "ab40c34969b405e8d44225aa205f879377a549b2", "author": "Kumaran Baskaran ", "committer": "cran-robot ", "message": "version 3.0.0\n", "time": 1791998493 }, "_maintainer": { "name": "Kumaran Baskaran", "email": "baskaran@uchc.edu", "login": "kumar-physics", "twitter": "@kumar_physics", "description": "Physicist doing research in structural biology", "uuid": 5636184, "orcid": "0000-0002-0418-0286" }, "_distro": "resolute", "_registered": true, "_dependencies": [ { "package": "R", "version": ">= 4.1.0", "role": "Depends" }, { "package": "httr2", "version": ">= 1.0.0", "role": "Imports" }, { "package": "jsonlite", "version": ">= 1.8.0", "role": "Imports" }, { "package": "plotly", "version": ">= 4.10.0", "role": "Imports" }, { "package": "cli", "version": ">= 3.4.0", "role": "Imports" }, { "package": "testthat", "version": ">= 3.0.0", "role": "Suggests" }, { "package": "knitr", "role": "Suggests" }, { "package": "rmarkdown", "role": "Suggests" }, { "package": "htmlwidgets", "role": "Suggests" }, { "package": "withr", "role": "Suggests" } ], "_owner": "cran", "_selfowned": false, "_usedby": 0, "_updates": [ { "week": "2026-42", "n": 1 } ], "_tags": [ { "name": "3.0.0", "date": "2026-10-14" } ], "_stars": 0, "_contributors": [ { "user": "kumar-physics", "count": 3, "uuid": 5636184 } ], "_userbio": { "uuid": 6899542, "type": "organization", "name": "cran", "followers": 630, "description": "Unofficial read-only mirror of all CRAN R packages" }, "_downloads": { "count": 46, "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/RBMRB" }, "_mentions": 1, "_devurl": "https://github.com/bmrb-io/rbmrb", "_searchresults": 21, "_rbuild": "4.6.1", "_assets": [ "extra/citation.cff", "extra/citation.html", "extra/citation.json", "extra/citation.txt", "extra/contents.json", "extra/manual.pdf", "extra/NEWS.html", "extra/NEWS.txt", "extra/RBMRB.html", "extra/readme.html", "extra/readme.md" ], "_cranurl": false, "_releases": [ { "version": "2.0", "date": "2016-11-18" }, { "version": "2.0.2", "date": "2017-01-06" }, { "version": "2.0.4", "date": "2017-03-03" }, { "version": "2.1.0", "date": "2017-09-22" }, { "version": "2.1.2", "date": "2018-01-30" }, { "version": "2.1.4", "date": "2020-10-26" }, { "version": "2.1.7", "date": "2021-07-11" } ], "_exports": [ "bmrb_citation", "bmrb_debug_entry", "bmrb_fetch_entry", "bmrb_from_pdb", "bmrb_list_entries", "bmrb_pdb_ids", "bmrb_search", "bmrb_status", "bmrb_test", "bmrb_upload_entry", "c13hsqc", "conditional_cs_hist", "create_2d_peaklist", "create_c13hsqc_peaklist", "create_n15hsqc_peaklist", "create_tocsy_peaklist", "cs_from_bmrb", "cs_from_file", "cs_hist", "cs_hist2d", "cs_peek", "cs_stats", "cs_summary", "cs_table", "cs_to_df", "export_peak_list", "filter_cs_outliers", "generic_2d", "get_2d_cs_data", "get_cs_data", "get_cs_from_bmrb_db", "n15hsqc", "RBMRB_version", "standard_amino_acids", "standard_nucleic_acids", "tocsy" ], "_help": [ { "page": "bmrb_citation", "title": "Get the citation for a BMRB entry", "topics": [ "bmrb_citation" ] }, { "page": "bmrb_debug_entry", "title": "Diagnose BMRB entry fetch problems", "topics": [ "bmrb_debug_entry" ] }, { "page": "bmrb_fetch_entry", "title": "Fetch raw metadata for a BMRB entry", "topics": [ "bmrb_fetch_entry" ] }, { "page": "bmrb_from_pdb", "title": "Get BMRB IDs associated with a PDB entry", "topics": [ "bmrb_from_pdb" ] }, { "page": "bmrb_list_entries", "title": "List all BMRB entry IDs", "topics": [ "bmrb_list_entries" ] }, { "page": "bmrb_pdb_ids", "title": "Get PDB IDs associated with a BMRB entry", "topics": [ "bmrb_pdb_ids" ] }, { "page": "bmrb_search", "title": "Search BMRB using the instant-search endpoint", "topics": [ "bmrb_search" ] }, { "page": "bmrb_status", "title": "Get BMRB API server status", "topics": [ "bmrb_status" ] }, { "page": "bmrb_test", "title": "Run a connectivity self-test", "topics": [ "bmrb_test" ] }, { "page": "bmrb_upload_entry", "title": "Upload an NMR-STAR file to BMRB for temporary access", "topics": [ "bmrb_upload_entry" ] }, { "page": "c13hsqc", "title": "Simulate a ^1H{-}^{13}C HSQC spectrum", "topics": [ "c13hsqc" ] }, { "page": "conditional_cs_hist", "title": "Plot a conditional chemical shift histogram", "topics": [ "conditional_cs_hist" ] }, { "page": "create_2d_peaklist", "title": "Build a generic 2D peak list for any two atoms", "topics": [ "create_2d_peaklist" ] }, { "page": "create_c13hsqc_peaklist", "title": "Build a 1H-13C HSQC peak list", "topics": [ "create_c13hsqc_peaklist" ] }, { "page": "create_n15hsqc_peaklist", "title": "Build a 1H-15N HSQC peak list", "topics": [ "create_n15hsqc_peaklist" ] }, { "page": "create_tocsy_peaklist", "title": "Build a 1H-1H TOCSY peak list", "topics": [ "create_tocsy_peaklist" ] }, { "page": "cs_from_bmrb", "title": "Extract chemical shifts from BMRB database entries", "topics": [ "cs_from_bmrb" ] }, { "page": "cs_from_file", "title": "Extract chemical shifts from local NMR-STAR files", "topics": [ "cs_from_file" ] }, { "page": "cs_hist", "title": "Plot a chemical shift distribution histogram", "topics": [ "cs_hist" ] }, { "page": "cs_hist2d", "title": "Plot a 2D chemical shift correlation map", "topics": [ "cs_hist2d" ] }, { "page": "cs_peek", "title": "Peek at a nested CS structure", "topics": [ "cs_peek" ] }, { "page": "cs_stats", "title": "Compute summary statistics for a set of chemical shifts", "topics": [ "cs_stats" ] }, { "page": "cs_summary", "title": "Summarise a nested chemical shift list", "topics": [ "cs_summary" ] }, { "page": "cs_table", "title": "Get a flat data.frame of chemical shifts for one or more BMRB entries", "topics": [ "cs_table" ] }, { "page": "cs_to_df", "title": "Convert a nested CS list to a tidy data.frame", "topics": [ "cs_to_df" ] }, { "page": "export_peak_list", "title": "Export a peak list to CSV or Sparky format", "topics": [ "export_peak_list" ] }, { "page": "filter_cs_outliers", "title": "Remove outliers from a numeric vector", "topics": [ "filter_cs_outliers" ] }, { "page": "generic_2d", "title": "Plot a generic 2D NMR correlation spectrum", "topics": [ "generic_2d" ] }, { "page": "get_2d_cs_data", "title": "Fetch paired 2D chemical shift data for two atoms in the same residue", "topics": [ "get_2d_cs_data" ] }, { "page": "get_cs_data", "title": "Fetch chemical shift data from the BMRB database", "topics": [ "get_cs_data" ] }, { "page": "get_cs_from_bmrb_db", "title": "Fetch raw BMRB chemical shift data (no outlier filtering)", "topics": [ "get_cs_from_bmrb_db" ] }, { "page": "n15hsqc", "title": "Simulate a ^{1}H{-}^{15}N HSQC spectrum", "topics": [ "n15hsqc" ] }, { "page": "RBMRB_version", "title": "Get the installed RBMRB version", "topics": [ "RBMRB_version" ] }, { "page": "standard_amino_acids", "title": "List the 20 standard amino acid codes", "topics": [ "standard_amino_acids" ] }, { "page": "standard_nucleic_acids", "title": "List standard nucleic acid residue codes", "topics": [ "standard_nucleic_acids" ] }, { "page": "tocsy", "title": "Simulate a ^1H{-}^1H TOCSY spectrum", "topics": [ "tocsy" ] } ], "_readme": "https://github.com/cran/RBMRB/raw/HEAD/README.md", "_rundeps": [ "askpass", "base64enc", "bslib", "cachem", "cli", "cpp11", "crosstalk", "curl", "data.table", "digest", "dplyr", "evaluate", "farver", "fastmap", "fontawesome", "fs", "generics", "ggplot2", "glue", "gtable", "highr", "htmltools", "htmlwidgets", "httr", "httr2", "isoband", "jquerylib", "jsonlite", "knitr", "labeling", "later", "lazyeval", "lifecycle", "magrittr", "memoise", "mime", "openssl", "otel", "pillar", "pkgconfig", "plotly", "promises", "purrr", "R6", "rappdirs", "RColorBrewer", "Rcpp", "rlang", "rmarkdown", "S7", "sass", "scales", "stringi", "stringr", "sys", "tibble", "tidyr", "tidyselect", "tinytex", "utf8", "vctrs", "viridisLite", "withr", "xfun", "yaml" ], "_vignettes": [ { "source": "RBMRB-intro.Rmd", "filename": "RBMRB-intro.html", "title": "Introduction to RBMRB", "engine": "knitr::rmarkdown", "headings": [ "Overview", "Verify connectivity", "Fetch chemical shifts from BMRB", "Read a local NMR-STAR file", "Simulate NMR spectra", "Export peak lists", "Chemical shift histograms", "Database-wide statistics", "API utilities" ], "created": "2026-10-14 17:21:33", "modified": "2026-10-14 17:21:33", "commits": 1 } ], "_score": 3.0211892990699383, "_indexed": false, "_nocasepkg": "rbmrb", "_universes": [ "cran", "kumar-physics", "bmrb-io" ], "_indexurl": "https://bmrb-io.r-universe.dev/RBMRB", "_binaries": [ { "r": "4.7.0", "os": "linux", "version": "3.0.0", "date": "2026-10-14T18:57:55.000Z", "distro": "resolute", "commit": "ab40c34969b405e8d44225aa205f879377a549b2", "fileid": "https://r2.ropensci.org/12bd7ae91a13eea4bca870352d2cba32dda8c66a444aaac624db60d7df205f46", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/38618883740" }, { "r": "4.6.1", "os": "linux", "version": "3.0.0", "date": "2026-10-14T18:57:41.000Z", "distro": "resolute", "commit": "ab40c34969b405e8d44225aa205f879377a549b2", "fileid": "https://r2.ropensci.org/9c6cd89b29e3fa474656d2b49fd6f26079f89bd84737d83484376af14690d4f4", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/38618883740" }, { "r": "4.6.0", "os": "wasm", "version": "3.0.0", "date": "2026-10-14T18:58:00.000Z", "commit": "ab40c34969b405e8d44225aa205f879377a549b2", "fileid": "https://r2.ropensci.org/b01a9818565cdee132197ac6d5fe9e6243092719da0e9e93b7049fa972a11b77", "status": "success", "buildurl": "https://github.com/r-universe/cran/actions/runs/38618883740" }, { "r": "4.7.0", "os": "win", "version": "3.0.0", "date": "2026-10-14T18:57:09.000Z", "commit": "ab40c34969b405e8d44225aa205f879377a549b2", "fileid": "https://r2.ropensci.org/5ab371779d7c35cb9b34c9090aeb7819cd7ad16e3eb3864db0dd389082a08ba5", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/38618883740" }, { "r": "4.6.1", "os": "win", "version": "3.0.0", "date": "2026-10-14T18:57:10.000Z", "commit": "ab40c34969b405e8d44225aa205f879377a549b2", "fileid": "https://r2.ropensci.org/ab69bfd1b4590dbdf405d4beefc0d66a63ecd2c6008e87573a9959d955326ebb", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/38618883740" } ] }