NMR Spectroscopists' Corner
Submission Procedure for depositing software and macros at BMRB
- Table Generator: creates template NMR-STAR 3.1 data tables
from residue sequence string.
NMR data file format conversion tools maintained by BMRB
NMR data file format conversion tools donated by the NMR community
- tab2bmrb: convert chemical shift tables
between publication format and NMR-STAR 2.1 format. Also included are tools to calculate random coil chemical
shifts and NMR experimental pulse lengths for experiments dependent on 3JHN(CA)HA coupling constants.
- FELIX to NMR-STAR: software for converting
FELIX chemical shift files to NMR-STAR 2.1 format.
- PIPP to NMR-STAR: software for converting
PIPP chemical shift files to NMR-STAR 2.1 format.
- NMR-STAR to TALOS+:
script for converting chemical shift tables in BMRB entries to TALOS+ input files.
- CYANA to XPLOR: script for converting
CYANA formatted files to XPLOR/CNS/PDB files.
Standardized Representation of NMR Data
- Amino Acid Browser - Atom nomenclature, structure, properties, abbreviations, and
for the 20 common L- Amino Acids
- Amino Acid Table References - Helix/sheet propensities, pKa
values, codons, abbreviations, hydrophobicity, and molecular weights in table formats.
- Amino Acid Information from EMBL - NMR related
amino acid information from the European Molecular Biology Laboratory
- Protein Calculator - Estimates pI, charge, UV absorbance,
etc. From the Scripps Research Institute
- Atom nomenclature - Proton nomenclature for
amino acids and Nucleic acids
Standard Shift Data for Amino Acids
Other Structural Information
A software package consisting of programs for analyzing, annotating, parsing,
archiving, and disseminating experimental NMR data deposited by authors world
wide into the PDB
Structure and Dynamics software using NMR data
- NCIDP CHEMICAL SHIFT LIBRARY
and related tools
Protein dynamics by NMR relaxation data analysis.
- CS-Rosetta - System for chemical shifts based protein
structure prediction using ROSETTA
- CS-Rosetta structure calculation
- POP cis/trans prediction
based on 13C chemical shifts
- CNSsolve - Crystallography & NMR System (CNS) is designed to provide a flexible multi-level hierachical
approach for the most commonly used algorithms in macromolecular structure determination.
- Tensor - A program for treating solution state 15N relaxation
for the study of molecular dynamics.
- Module - A program developed to allow the
determination of alignment tensor parameters for individual or multiple domains in macromolecules from residual dipolar couplings and to
facilitate their manipulation to construct low-resolution models of macromolecular structure.
- Wishart Research Group webservers
- SHIFTX Web Server - A web server that predicts 1H, 13C, and 15N protein chemical shifts using the 3D structure (PDB coordinates) of the protein of interest.
- THRIFTY Web Server - A web server that rapidly generates 3D protein structures (PDB coordinates) from their corresponding chemical shift assignments
NMR Software Hosted at BMRB but Maintained by Other Users
- BBReader is a program to
speed the search for information in NMR-STAR files.
- calc_cs - The program calculates random coil chemical shifts for a protein sequence
- calc - A program to calculate pulse lengths for NMR experiments.