Interface to the Biological Magnetic Resonance Data Bank ('BMRB')

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Documentation for package ‘RBMRB’ version 3.0.0

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bmrb_citation Get the citation for a BMRB entry
bmrb_debug_entry Diagnose BMRB entry fetch problems
bmrb_fetch_entry Fetch raw metadata for a BMRB entry
bmrb_from_pdb Get BMRB IDs associated with a PDB entry
bmrb_list_entries List all BMRB entry IDs
bmrb_pdb_ids Get PDB IDs associated with a BMRB entry
bmrb_search Search BMRB using the instant-search endpoint
bmrb_status Get BMRB API server status
bmrb_test Run a connectivity self-test
bmrb_upload_entry Upload an NMR-STAR file to BMRB for temporary access
c13hsqc Simulate a ^1H{-}^{13}C HSQC spectrum
conditional_cs_hist Plot a conditional chemical shift histogram
create_2d_peaklist Build a generic 2D peak list for any two atoms
create_c13hsqc_peaklist Build a 1H-13C HSQC peak list
create_n15hsqc_peaklist Build a 1H-15N HSQC peak list
create_tocsy_peaklist Build a 1H-1H TOCSY peak list
cs_from_bmrb Extract chemical shifts from BMRB database entries
cs_from_file Extract chemical shifts from local NMR-STAR files
cs_hist Plot a chemical shift distribution histogram
cs_hist2d Plot a 2D chemical shift correlation map
cs_peek Peek at a nested CS structure
cs_stats Compute summary statistics for a set of chemical shifts
cs_summary Summarise a nested chemical shift list
cs_table Get a flat data.frame of chemical shifts for one or more BMRB entries
cs_to_df Convert a nested CS list to a tidy data.frame
export_peak_list Export a peak list to CSV or Sparky format
filter_cs_outliers Remove outliers from a numeric vector
generic_2d Plot a generic 2D NMR correlation spectrum
get_2d_cs_data Fetch paired 2D chemical shift data for two atoms in the same residue
get_cs_data Fetch chemical shift data from the BMRB database
get_cs_from_bmrb_db Fetch raw BMRB chemical shift data (no outlier filtering)
n15hsqc Simulate a ^{1}H{-}^{15}N HSQC spectrum
RBMRB_version Get the installed RBMRB version
standard_amino_acids List the 20 standard amino acid codes
standard_nucleic_acids List standard nucleic acid residue codes
tocsy Simulate a ^1H{-}^1H TOCSY spectrum