NMRSTARLIB

nmrstarlib


Synopsis

A Python library that facilitates reading and writing NMR-STAR formatted files used by BMRB for archival of NMR data

Description

The nmrstarlib package is a Python library that facilitates reading and writing NMR-STAR formatted files used by the Biological Magnetic Resonance Data Bank (BMRB) for archival of Nuclear Magnetic Resonance (NMR) data. The nmrstarlib package provides facilities to convert NMR-STAR formatted files into their equivalent JSONized (JavaScript Object Notation, an open-standard format that uses human-readable text to transmit data objects consisting of attribute-value pairs) representation and vice versa. The nmrstarlib package also provides facilities to create simulated peak lists for different types of standard solution and solid-state NMR experiments from chemical shifts and assignment information deposited in NMR-STAR files. In addition, the nmrstarlib package provides methods to visualize chemical shift data.

The nmrstarlib package can be used in several ways:
  • As a library for accessing and manipulating data stored in NMR-STAR format files.
  • As a command-line tool to convert between NMR-STAR format and its equivalent JSONized NMR-STAR format, to create a large number of simulated peak lists, and also to visualize chemical shift data.

URL

http://nmrstarlib.readthedocs.io/en/latest/index.html

Versions

NMRbox Version Software Version
3.0.0 2.0.2,

Keywords

  • Utilities