# ------------------------------------------------
# CITATION.cff file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
# ------------------------------------------------
 
cff-version: 1.2.0
message: 'To cite package "RBMRB" in publications use:'
type: software
license: GPL-3.0-only
title: 'RBMRB: Interface to the Biological Magnetic Resonance Data Bank (''BMRB'')'
version: 3.0.0
abstract: '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/>.'
authors:
- family-names: Baskaran
  given-names: Kumaran
  email: baskaran@uchc.edu
  orcid: https://orcid.org/0000-0002-0418-0286
repository: https://cran.r-universe.dev
repository-code: https://github.com/bmrb-io/RBMRB
commit: ab40c34969b405e8d44225aa205f879377a549b2
url: https://github.com/bmrb-io/RBMRB
date-released: '2026-10-01'
contact:
- family-names: Baskaran
  given-names: Kumaran
  email: baskaran@uchc.edu
  orcid: https://orcid.org/0000-0002-0418-0286