GENESIS
GENESIS generates Bruker-compatible pulse programs for NOAH (NMR by Ordered Acquisition using 1H detection) supersequences to enable acquisition of multiple 2D NMR datasets within reduced experiment durations.
Key Features:
- Systematic pulse program generation: Automates creation of pulse programs for arbitrary NOAH supersequences, reducing manual effort and minimizing program construction errors.
- Bruker compatibility: Produces pulse programs formatted for direct use on Bruker spectrometers.
- Acquisition and processing scripts: Outputs acquisition and processing scripts required to run and process NOAH experiments.
- Module concatenation and combinatorial exploration: Supports concatenation of five or more modules, enabling exploration of thousands of potential supersequences.
- Integration of methodological advances: Incorporates new developments such as solvent suppression techniques, pure shift NMR modules, and artifact reduction strategies for HMBC and HMQC modules.
Scientific Applications:
- Structural biology and biochemistry: Enables rapid and efficient acquisition of high-quality 2D NMR data for structural characterization and biochemical studies.
- Method development and optimization: Facilitates testing and optimization of NOAH supersequences by exploring large numbers of concatenated module combinations.
- High-throughput multi-2D acquisition: Supports acquisition strategies that obtain multiple 2D NMR datasets within reduced experimental timeframes.
Methodology:
Systematic generation of Bruker-compatible pulse programs with the ability to incorporate new modules such as solvent suppression, pure shift NMR modules, and artifact reduction strategies for HMBC and HMQC.
Topics
Details
- License:
- MIT
- Cost:
- Free of charge
- Tool Type:
- web application
- Operating Systems:
- Mac, Linux, Windows
- Programming Languages:
- C
- Added:
- 6/13/2022
- Last Updated:
- 6/13/2022
Operations
Data Inputs & Outputs
Parsing
Outputs
Publications
Yong JRJ, Kupče E, Claridge TDW. Modular Pulse Program Generation for NMR Supersequences. Analytical Chemistry. 2022;94(4):2271-2278. doi:10.1021/acs.analchem.1c04964. PMID:35050622. PMCID:PMC9082496.
PMID: 35050622
PMCID: PMC9082496
Funding: - Engineering and Physical Sciences Research Council: EP/L015838/1
Links
Repository
https://github.com/yongrenjie/genesis