Package: RBMRB
Title: Interface to the Biological Magnetic Resonance Data Bank
        ('BMRB')
Version: 3.0.0
Date: 2026-10-01
Authors@R: person(
    given   = "Kumaran",
    family  = "Baskaran",
    email   = "baskaran@uchc.edu",
    role    = c("aut", "cre"),
    comment = c(ORCID = "0000-0002-0418-0286"))
Description: A comprehensive interface to the Biological Magnetic
        Resonance Data Bank ('BMRB') <https://bmrb.io>, mirroring all
        functionality of the 'PyBMRB' 'Python' package (v3.0). Provides
        four modules: (1) 'ChemicalShift' for fetching per-entry
        chemical shift data from the 'BMRB' 'REST' 'API' or local
        'NMR-STAR' files; (2) 'ChemicalShiftStatistics' for
        database-wide statistical queries; (3) Spectra for simulating
        '1H-15N' 'HSQC', '1H-13C' 'HSQC', '1H-1H' 'TOCSY', and generic
        2D 'NMR' spectra as interactive plots; and (4) Histogram for
        chemical shift distribution visualizations with optional
        filtering by pH, temperature, and ambiguity code. All
        interactive plots are rendered via 'plotly'. Uses the 'BMRB'
        REST API v2 <https://api.bmrb.io/v2/>.
License: GPL-3
URL: https://github.com/bmrb-io/RBMRB
BugReports: https://github.com/bmrb-io/RBMRB/issues
Encoding: UTF-8
Depends: R (>= 4.1.0)
Imports: httr2 (>= 1.0.0), jsonlite (>= 1.8.0), plotly (>= 4.10.0), cli
        (>= 3.4.0)
Suggests: testthat (>= 3.0.0), knitr, rmarkdown, htmlwidgets, withr
Config/testthat/edition: 3
VignetteBuilder: knitr
Config/roxygen2/version: 8.0.0
NeedsCompilation: no
Packaged: 2026-10-14 18:55:48 UTC; root
Author: Kumaran Baskaran [aut, cre] (ORCID:
        <https://orcid.org/0000-0002-0418-0286>)
Maintainer: Kumaran Baskaran <baskaran@uchc.edu>
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